6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C32H60 — CID 123897118

IUPAC6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC(CCC(C)C(C)CCC(C)C)C1CCC2CCC(C(C)C3CCC(C)CC3)CC21
InChIInChI=1S/C32H60/c1-8-27(16-13-25(6)24(5)12-9-22(2)3)31-20-19-29-17-18-30(21-32(29)31)26(7)28-14-10-23(4)11-15-28/h22-32H,8-21H2,1-7H3
InChIKeyMABJPODGKCQTLS-UHFFFAOYSA-N
MW444.83 g/mol
LogP10.41
Rot. Bonds11

About 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 123897118) has the molecular formula C32H60 and a molecular weight of 444.83 g/mol. Its IUPAC name is 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID123897118
Molecular FormulaC32H60
Molecular Weight444.83 g/mol
Exact Mass444.47
IUPAC Name6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC(CCC(C)C(C)CCC(C)C)C1CCC2CCC(C(C)C3CCC(C)CC3)CC21
InChIInChI=1S/C32H60/c1-8-27(16-13-25(6)24(5)12-9-22(2)3)31-20-19-29-17-18-30(21-32(29)31)26(7)28-14-10-23(4)11-15-28/h22-32H,8-21H2,1-7H3
InChIKeyMABJPODGKCQTLS-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.83
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane
CID 145325236
(1S)-4-[(3R)-6-methylheptan-3-yl]cyclohexane-1,2-diol
CID 67935409
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane
CID 91346201
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
CID 123270008
formic acid;1-methyl-4-pentan-3-ylcyclohexane
CID 144502603
2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423201
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane
CID 142427618
1-methyl-3-(3-methylheptan-4-yl)cyclopentane
CID 143344172
1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 123897118) is 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCC(CCC(C)C(C)CCC(C)C)C1CCC2CCC(C(C)C3CCC(C)CC3)CC21.
What is the InChIKey of 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is MABJPODGKCQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60/c1-8-27(16-13-25(6)24(5)12-9-22(2)3)31-20-19-29-17-18-30(21-32(29)31)26(7)28-14-10-23(4)11-15-28/h22-32H,8-21H2,1-7H3.
What are the key properties of 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 444.83 g/mol, XLogP of 10.41, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methylcyclohexyl)ethyl]-1-(6,7,10-trimethylundecan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 123897118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).