2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C24H42 — CID 58552321

IUPAC2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CCC(CCC2C3CCCCC3CC2C2CCCCC2)CC1
InChIInChI=1S/C24H42/c1-18-11-13-19(14-12-18)15-16-23-22-10-6-5-9-21(22)17-24(23)20-7-3-2-4-8-20/h18-24H,2-17H2,1H3
InChIKeyOKPJHXLGMPAGJV-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.62
Rot. Bonds4

About 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 58552321) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID58552321
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CCC(CCC2C3CCCCC3CC2C2CCCCC2)CC1
InChIInChI=1S/C24H42/c1-18-11-13-19(14-12-18)15-16-23-22-10-6-5-9-21(22)17-24(23)20-7-3-2-4-8-20/h18-24H,2-17H2,1H3
InChIKeyOKPJHXLGMPAGJV-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 58552522
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane
CID 91187564
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
2-cyclohexyl-3-(2-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552713
1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 173085901
(2S)-1-[(3R)-3,6-dimethyl-5-(4-methylcyclohexyl)-6-(4-propylcyclohexyl)heptyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
CID 70902237
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
1,3-dicyclohexyl-2,7-dimethylcyclodecane
CID 20676902
1-[3-(3-cyclohexylpropyl)cyclopentyl]-2-methylcyclohexane
CID 123393591
carbanide;1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methylcyclopentane;propylcyclopentane;bis(zirconium(4+))
CID 162271887

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 58552321) is 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CCC(CCC2C3CCCCC3CC2C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is OKPJHXLGMPAGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-18-11-13-19(14-12-18)15-16-23-22-10-6-5-9-21(22)17-24(23)20-7-3-2-4-8-20/h18-24H,2-17H2,1H3.
What are the key properties of 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 330.60 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 58552321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).