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

C35H64 — CID 157154870

IUPAC5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-ethyl-2-methyl-1-(3-methylcyclopentyl)cyclohexane
SMILESCCC1CCC(C2CCC(C)C2)C(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCCCC1
InChIInChI=1S/C20H36.C15H28/c1-3-4-12-18-15(2)14-17-11-8-13-19(17)20(18)16-9-6-5-7-10-16;1-4-13-6-8-15(12(3)10-13)14-7-5-11(2)9-14/h15-20H,3-14H2,1-2H3;11-15H,4-10H2,1-3H3
InChIKeyALRPAZIKDNQQCQ-UHFFFAOYSA-N
MW484.90 g/mol
LogP11.33
Rot. Bonds6

About 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

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 (PubChem CID 157154870) has the molecular formula C35H64 and a molecular weight of 484.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-ethyl-2-methyl-1-(3-methylcyclopentyl)cyclohexane
PubChem CID157154870
Molecular FormulaC35H64
Molecular Weight484.90 g/mol
Exact Mass484.50
IUPAC Name5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-ethyl-2-methyl-1-(3-methylcyclopentyl)cyclohexane
SMILESCCC1CCC(C2CCC(C)C2)C(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCCCC1
InChIInChI=1S/C20H36.C15H28/c1-3-4-12-18-15(2)14-17-11-8-13-19(17)20(18)16-9-6-5-7-10-16;1-4-13-6-8-15(12(3)10-13)14-7-5-11(2)9-14/h15-20H,3-14H2,1-2H3;11-15H,4-10H2,1-3H3
InChIKeyALRPAZIKDNQQCQ-UHFFFAOYSA-N
XLogP11.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.90
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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-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;2-ethyl-4-methyl-1-(3-methylcyclopentyl)cyclohexane
CID 159206144
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
1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
CID 58552269
4-(2,4-diethylcyclohexyl)-5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552225
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
1-methyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140848336
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CCC(C2CCC(C)C2)C(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCCCC1.
What is the InChIKey of 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?
The InChIKey is ALRPAZIKDNQQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36.C15H28/c1-3-4-12-18-15(2)14-17-11-8-13-19(17)20(18)16-9-6-5-7-10-16;1-4-13-6-8-15(12(3)10-13)14-7-5-11(2)9-14/h15-20H,3-14H2,1-2H3;11-15H,4-10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 484.90 g/mol, XLogP of 11.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).