1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol

C21H38O — CID 59969086

IUPAC1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol
SMILESCC1CCC(CC2CCC(O)(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C21H38O/c1-16-3-7-18(8-4-16)15-19-11-13-21(22,14-12-19)20-9-5-17(2)6-10-20/h16-20,22H,3-15H2,1-2H3
InChIKeyAIBBOOIADQMUBI-UHFFFAOYSA-N
MW306.53 g/mol
LogP5.95
Rot. Bonds3

About 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol

1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol (PubChem CID 59969086) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol
PubChem CID59969086
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol
SMILESCC1CCC(CC2CCC(O)(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C21H38O/c1-16-3-7-18(8-4-16)15-19-11-13-21(22,14-12-19)20-9-5-17(2)6-10-20/h16-20,22H,3-15H2,1-2H3
InChIKeyAIBBOOIADQMUBI-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol
CID 65090860
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
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835
1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 64730670
3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol
CID 80561498
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
CID 59931224
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione
CID 59938766
1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
CID 130469055
6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane
CID 167617145

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol (CID 59969086) is 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol is CC1CCC(CC2CCC(O)(C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol?
The InChIKey is AIBBOOIADQMUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O/c1-16-3-7-18(8-4-16)15-19-11-13-21(22,14-12-19)20-9-5-17(2)6-10-20/h16-20,22H,3-15H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol?
1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol has a molecular weight of 306.53 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 59969086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).