5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C26H46 — CID 58552642

IUPAC5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CCC(CC2C(C3CCC(C)CC3)CC3CC(C)CC(C)C32)CC1
InChIInChI=1S/C26H46/c1-17-5-9-21(10-6-17)15-25-24(22-11-7-18(2)8-12-22)16-23-14-19(3)13-20(4)26(23)25/h17-26H,5-16H2,1-4H3
InChIKeyLXCZEFTVVJOUML-UHFFFAOYSA-N
MW358.65 g/mol
LogP7.96
Rot. Bonds3

About 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 58552642) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID58552642
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CCC(CC2C(C3CCC(C)CC3)CC3CC(C)CC(C)C32)CC1
InChIInChI=1S/C26H46/c1-17-5-9-21(10-6-17)15-25-24(22-11-7-18(2)8-12-22)16-23-14-19(3)13-20(4)26(23)25/h17-26H,5-16H2,1-4H3
InChIKeyLXCZEFTVVJOUML-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552321
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123875044
1,4-dimethyl-2-[5-methyl-2-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 142208106
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992
1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 59348904
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
1-(cyclobutylmethyl)-3-(2-methylcyclopropyl)cyclopentane
CID 163519251

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 58552642) is 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CCC(CC2C(C3CCC(C)CC3)CC3CC(C)CC(C)C32)CC1.
What is the InChIKey of 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is LXCZEFTVVJOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-17-5-9-21(10-6-17)15-25-24(22-11-7-18(2)8-12-22)16-23-14-19(3)13-20(4)26(23)25/h17-26H,5-16H2,1-4H3.
What are the key properties of 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 358.65 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(4-methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 58552642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).