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

C34H62 — CID 160646445

IUPAC5-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
SMILESCC1CCC2CCCCC12.CCCCC1C(C)CC2CCCC2C1C1CCC(CC)C(CC)C1
InChIInChI=1S/C24H44.C10H18/c1-5-8-11-22-17(4)15-20-10-9-12-23(20)24(22)21-14-13-18(6-2)19(7-3)16-21;1-8-6-7-9-4-2-3-5-10(8)9/h17-24H,5-16H2,1-4H3;8-10H,2-7H2,1H3
InChIKeyRJVOSHDAFLWOLO-UHFFFAOYSA-N
MW470.87 g/mol
LogP10.94
Rot. Bonds6

About 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

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 (PubChem CID 160646445) has the molecular formula C34H62 and a molecular weight of 470.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID160646445
Molecular FormulaC34H62
Molecular Weight470.87 g/mol
Exact Mass470.49
IUPAC Name5-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
SMILESCC1CCC2CCCCC12.CCCCC1C(C)CC2CCCC2C1C1CCC(CC)C(CC)C1
InChIInChI=1S/C24H44.C10H18/c1-5-8-11-22-17(4)15-20-10-9-12-23(20)24(22)21-14-13-18(6-2)19(7-3)16-21;1-8-6-7-9-4-2-3-5-10(8)9/h17-24H,5-16H2,1-4H3;8-10H,2-7H2,1H3
InChIKeyRJVOSHDAFLWOLO-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.87
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-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
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
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
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
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC2CCCCC12.CCCCC1C(C)CC2CCCC2C1C1CCC(CC)C(CC)C1.
What is the InChIKey of 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?
The InChIKey is RJVOSHDAFLWOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44.C10H18/c1-5-8-11-22-17(4)15-20-10-9-12-23(20)24(22)21-14-13-18(6-2)19(7-3)16-21;1-8-6-7-9-4-2-3-5-10(8)9/h17-24H,5-16H2,1-4H3;8-10H,2-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 470.87 g/mol, XLogP of 10.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160646445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).