5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane

C36H66 — CID 159206144

IUPAC5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane
SMILESCCC1CC(C)CCC1C1CCC(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCC(C)CC1
InChIInChI=1S/C21H38.C15H28/c1-4-5-8-19-16(3)14-18-7-6-9-20(18)21(19)17-12-10-15(2)11-13-17;1-4-13-9-12(3)6-8-15(13)14-7-5-11(2)10-14/h15-21H,4-14H2,1-3H3;11-15H,4-10H2,1-3H3
InChIKeyKPXIZVRZKMMTIQ-UHFFFAOYSA-N
MW498.92 g/mol
LogP11.58
Rot. Bonds6

About 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane

5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane (PubChem CID 159206144) has the molecular formula C36H66 and a molecular weight of 498.92 g/mol. Its IUPAC name is 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane.

Molecular Properties

Compound Name5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane
PubChem CID159206144
Molecular FormulaC36H66
Molecular Weight498.92 g/mol
Exact Mass498.52
IUPAC Name5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane
SMILESCCC1CC(C)CCC1C1CCC(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCC(C)CC1
InChIInChI=1S/C21H38.C15H28/c1-4-5-8-19-16(3)14-18-7-6-9-20(18)21(19)17-12-10-15(2)11-13-17;1-4-13-9-12(3)6-8-15(13)14-7-5-11(2)10-14/h15-21H,4-14H2,1-3H3;11-15H,4-10H2,1-3H3
InChIKeyKPXIZVRZKMMTIQ-UHFFFAOYSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.92
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane with MolForge

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Related Compounds

5-butyl-6-methyl-4-(4-propan-2-ylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,4-diethyl-1-(3-methylcyclopentyl)cyclohexane
CID 160763129
5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-4-(3-methylcyclopentyl)cyclohexane
CID 157459026
5-butyl-4-(2,4-diethylcyclohexyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2-(3-methylcyclopentyl)cyclohexane
CID 158905854
5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-ethyl-2-methyl-1-(3-methylcyclopentyl)cyclohexane
CID 157154870
5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,4-dimethyl-2-propylcyclohexane
CID 157261713
5-butyl-4-(3,4-diethylcyclohexyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 160646445
2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane
CID 161039599
4-(2,4-diethylcyclohexyl)-5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552225
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
3,6-dimethyl-2-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-thiol
CID 135265546
3-methyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 20683773

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane?
The IUPAC name of 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane (CID 159206144) is 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane.
What is the SMILES notation for 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane?
The canonical SMILES for 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane is CCC1CC(C)CCC1C1CCC(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCC(C)CC1.
What is the InChIKey of 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane?
The InChIKey is KPXIZVRZKMMTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38.C15H28/c1-4-5-8-19-16(3)14-18-7-6-9-20(18)21(19)17-12-10-15(2)11-13-17;1-4-13-9-12(3)6-8-15(13)14-7-5-11(2)10-14/h15-21H,4-14H2,1-3H3;11-15H,4-10H2,1-3H3.
What are the key properties of 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane?
5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane has a molecular weight of 498.92 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-methyl-4-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane is sourced from PubChem (CID 159206144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).