Tetracosane

  • GreenMolBD CID : 85
  • Molecular Formula : C24H50
  • Molecular Weight : 338.664
  • Exact Molecular Mass : 338.391
  • IUPAC Name : tetracosane
  • InChI : InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
  • InChI Key : POOSGDOYLQNASK-UHFFFAOYSA-N
  • Canonical SMILES : CCCCCCCCCCCCCCCCCCCCCCCC
  • Isomeric SMILES : CCCCCCCCCCCCCCCCCCCCCCCC
  • Cross Reference  Pubchem

1. Classification

1.1. Description

This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.

1.2. Taxonomy Tree

1.3. Alternative Parent

1.4. Molecular Framework

Aliphatic acyclic compounds

1.5. Substituents

Acyclic alkane; Alkane; Aliphatic acyclic compound

2. Physical Properties

SlogP TPSA HBD HBA nHA nRB nAA nAB SMR vdw_vol vdw_area Density
9.6084 0 0 0 24 21 0 0 11.2922 600.196 442.194 0.564255

3. Quantum Information

Heat of Formation Dipole Moment Electronegativity Homo Lumo Hardness
-210.267745 0 -4.195 -11.43428 3.04361 7.239

4. Compound Reactivity

DLP nRFG nLMR
15 0 0

5. Topkat Properties

WOE Prediction Ames Prediction DTP Prediction Rat Oral LD50 (g/kg body weight) Rat Inhalational LC50 (mg/m3/h) Chronic LOAEL (g/kg body weight) Skin Irritancy Skin Sensitization Ocular Irritancy Aerobic Biodegradability Prediction Fathead Minnow LC50 (g/l) Daphnia EC50 (mg/l)
Non-Carcinogen Non-Mutagen Non-Toxic 25.4648 13592.3 0.870194 Severe None None Degradable 2.68E-8 0.00212685

6. Drug-Likeliness Test

Lipinski's rule of five Jorgensen's rule of three Goshe filter Veber filter PAINS1 PAINS2 PAINS3
Yes Yes No No Yes Yes Yes

7. Synonyms

Name
TETRACOSANE
n-Tetracosane
646-31-1
Lignocerane
UNII-YQ5H1M1D7I
Tricosane, methyl-
YQ5H1M1D7I
MFCD00009352
SBB060079
Tetracosane, analytical standard
NSC 2984
EINECS 211-474-5
C24H50
Tetracosane, 99%
AI3-52698
AC1L1ZXC
ACMC-1B0GQ
AC1Q28TZ
n-Tetracosane, 99% 5g
KSC357O9B
DTXSID8060955
CHEBI:32936
CTK2F7790
HSDB 8354
NSC2984
MolPort-003-933-016
POOSGDOYLQNASK-UHFFFAOYSA-N
Tetracosane[StandardMaterialforGC]
CH3-[CH2]22-CH3
NSC-2984
ZINC6920417
6714AF
ANW-34924
LMFA11000585
STL301146
AKOS015843189
MCULE-5174537376
RTR-022119
TRA0079740
KS-0000153W
AN-20472
CC-33170
LP001499
DB-054706
TL8004607
TR-022119
FT-0632744
S0296
ST51046323
C-24771
I14-106317
0A751D89-FC23-4E63-9FA0-2DD14DA5803E
D5480 Tetracosane
D5480 n-Tetracosane Solution
AS-10445

8. Compound in Different Plants

Compound Name Plant Name Compound in Plant Parts Ref
Tetracosane
Abelmoschus esculentus (L.) Moench Pod 3
Andrographis paniculata Aerial 20
Anisomeles indica (L.) Kuntze. Leaf 3
Azadirachta indica A. juss. Fruit coat 63
Colocasia esculenta Linn. Cormel 1 , 5
Cucurbita maxima Duchesne Fruit; Leaf 1
Jasminum graniflorum Flower 2
Leea indica Leaf 2
Magnolia grandiflora Flower 11
Rosa damascena Petal 12
Rumex vesicarius Fruit 2

9. Targets

ID Target Name Gene Symbol Organism Protein Crystal Complex Activity Values Reference
Potency (nM) Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) Biological Assay DOI Article PMID PubChem AID

10. Chemical Vendors

SID Source Name Source URL Source Detail Registry ID Source Record URL
104329421ABI ChemSource URLSource DetailAC1L1ZXCSource Record URL
117392774ABI ChemSource URLSource DetailAC1Q28TZSource Record URL
87575820TCI (Tokyo Chemical Industry)Source URLSource DetailS0296Source Record URL
87576091TCI (Tokyo Chemical Industry)Source URLSource DetailT0075Source Record URL
223677678AN PharmaTechSource URLSource DetailAN-20472Source Record URL
254782211Boc SciencesSource URLSource Detail646-31-1Source Record URL
316443274abcr GmbHSource URLSource DetailAB210601Source Record URL
164816538Finetech Industry LimitedSource URLSource DetailFT-0632744Source Record URL
340510785LGC StandardsSource URLSource DetailDRE-C17395800Source Record URL
354703012LGC StandardsSource URLSource DetailDRE-GA09010496CDSource Record URL
354703013LGC StandardsSource URLSource DetailDRE-GA09010498TMSource Record URL
354265064Key Organics/BIONETSource URLSource DetailAS-10445Source Record URL
160802425AnwardSource URLSource DetailANW-34924Source Record URL
329735253VladaChemSource URLSource DetailVL144536Source Record URL
49834461Hangzhou Trylead Chemical TechnologySource URLSource DetailTL8004607Source Record URL
144102716ISpharmSource URLSource DetailI14-106317Source Record URL
204358451TractusSource URLSource DetailRTR-022119Source Record URL
135569849TractusSource URLSource DetailTR-022119Source Record URL
252270678TractusSource URLSource DetailTRA0079740Source Record URL
91696059MolPortSource URLSource DetailMolPort-003-933-016Source Record URL
151982608AKos Consulting & SolutionsSource URLSource DetailAKOS015843189Source Record URL
202825967Debye Scientific Co., LtdSource URLSource DetailDB-054706Source Record URL
252355355AHH Chemical co.,ltdSource URLSource DetailMT-57318Source Record URL
258214938ZINCSource URLSource DetailZINC6920417Source Record URL
126674697ChemMolSource URLSource Detail49413346Source Record URL
241115817ChemMolSource URLSource Detail99124921Source Record URL
252497555AK Scientific, Inc. (AKSCI)Source URLSource Detail6714AFSource Record URL
342433357Wubei-BiochemSource URLSource DetailWB014262SUSource Record URL
346448404King ScientificSource URLSource DetailKS-0000153WSource Record URL
163806272King ScientificSource URLSource DetailKSC357O9BSource Record URL
164054035Vitas-M LaboratorySource URLSource DetailSTL301146Source Record URL
24867972Sigma-AldrichSource URLSource Detail442707_SUPELCOSource Record URL
329769502Sigma-AldrichSource URLSource Detail87089_SIALSource Record URL
24900554Sigma-AldrichSource URLSource DetailT8752_ALDRICHSource Record URL
162634995ChemTikSource URLSource DetailCTK2F7790Source Record URL
319545184Oakwood ProductsSource URLSource Detail099562Source Record URL
57327716NovoSeekSource URLSource Detail12592Source Record URL
354304430iChemical Technology USA IncSource URLSource DetailEBD2204740Source Record URL
318269218Chem-Space.com DatabaseSource URLSource DetailCSC000057100Source Record URL
85089756MP BiomedicalsSource URLSource Detail158226Source Record URL
56371312MP BiomedicalsSource URLSource Detail209908Source Record URL
310280697Glentham Life Sciences Ltd.Source URLSource DetailGP0645Source Record URL
313052538MolepediaSource URLSource DetailM10017630PSource Record URL
143434467TimTecSource URLSource DetailSBB060079Source Record URL
143804163TimTecSource URLSource DetailST51046323Source Record URL
346697231LabNetwork, a WuXi AppTec CompanySource URLSource DetailLN00199126Source Record URL
3134606ChemExper Chemical DirectorySource URLSource Detailja}@@@DiUUUUUUVjjjjjjj`@@Source Record URL
321914361AcadechemSource URLSource DetailACDS-031947Source Record URL
349209340Chemieliva Pharmaceutical Co., LtdSource URLSource DetailPBCM0727486Source Record URL
162267884AchemicaSource URLSource DetailACMC-1B0GQSource Record URL
162091847Chembase.cnSource URLSource Detail105035Source Record URL
166650033MculeSource URLSource DetailMCULE-5174537376Source Record URL
3610404331717 CheMall CorporationSource URLSource DetailBG07852145Source Record URL
355188716MuseChemSource URLSource DetailR069543Source Record URL
171698851Angene ChemicalSource URLSource DetailAGN-PC-0D62I9Source Record URL