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

C38H70 — CID 158905854

IUPAC5-butyl-4-(2,4-diethylcyclohexyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2-(3-methylcyclopentyl)cyclohexane
SMILESCCC1CCCCC1C1CCC(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCC(CC)CC1CC
InChIInChI=1S/C24H44.C14H26/c1-5-8-11-21-17(4)15-20-10-9-12-22(20)24(21)23-14-13-18(6-2)16-19(23)7-3;1-3-12-6-4-5-7-14(12)13-9-8-11(2)10-13/h17-24H,5-16H2,1-4H3;11-14H,3-10H2,1-2H3
InChIKeyJGANGZUIJJHXHE-UHFFFAOYSA-N
MW526.98 g/mol
LogP12.36
Rot. Bonds8

About 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

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 (PubChem CID 158905854) has the molecular formula C38H70 and a molecular weight of 526.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-butyl-4-(2,4-diethylcyclohexyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2-(3-methylcyclopentyl)cyclohexane
PubChem CID158905854
Molecular FormulaC38H70
Molecular Weight526.98 g/mol
Exact Mass526.55
IUPAC Name5-butyl-4-(2,4-diethylcyclohexyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2-(3-methylcyclopentyl)cyclohexane
SMILESCCC1CCCCC1C1CCC(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCC(CC)CC1CC
InChIInChI=1S/C24H44.C14H26/c1-5-8-11-21-17(4)15-20-10-9-12-22(20)24(21)23-14-13-18(6-2)16-19(23)7-3;1-3-12-6-4-5-7-14(12)13-9-8-11(2)10-13/h17-24H,5-16H2,1-4H3;11-14H,3-10H2,1-2H3
InChIKeyJGANGZUIJJHXHE-UHFFFAOYSA-N
XLogP12.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.98
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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;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;4-ethyl-2-methyl-1-(3-methylcyclopentyl)cyclohexane
CID 157154870
4-(2,4-diethylcyclohexyl)-5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552225
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-(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
5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,4-dimethyl-2-propylcyclohexane
CID 157261713
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
2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147264
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143342565

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CCCCC1C1CCC(C)C1.CCCCC1C(C)CC2CCCC2C1C1CCC(CC)CC1CC.
What is the InChIKey of 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?
The InChIKey is JGANGZUIJJHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44.C14H26/c1-5-8-11-21-17(4)15-20-10-9-12-22(20)24(21)23-14-13-18(6-2)16-19(23)7-3;1-3-12-6-4-5-7-14(12)13-9-8-11(2)10-13/h17-24H,5-16H2,1-4H3;11-14H,3-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 526.98 g/mol, XLogP of 12.36, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158905854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).