4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol

C21H38O — CID 18739597

IUPAC4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol
SMILESCC1CC(C2(C)CCCCC2)C(O)C(C2(C)CCCCC2)C1
InChIInChI=1S/C21H38O/c1-16-14-17(20(2)10-6-4-7-11-20)19(22)18(15-16)21(3)12-8-5-9-13-21/h16-19,22H,4-15H2,1-3H3
InChIKeyARBAQGZMLNQTPE-UHFFFAOYSA-N
MW306.53 g/mol
LogP5.95
Rot. Bonds2

About 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol

4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol (PubChem CID 18739597) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol
PubChem CID18739597
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol
SMILESCC1CC(C2(C)CCCCC2)C(O)C(C2(C)CCCCC2)C1
InChIInChI=1S/C21H38O/c1-16-14-17(20(2)10-6-4-7-11-20)19(22)18(15-16)21(3)12-8-5-9-13-21/h16-19,22H,4-15H2,1-3H3
InChIKeyARBAQGZMLNQTPE-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol (CID 18739597) is 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol is CC1CC(C2(C)CCCCC2)C(O)C(C2(C)CCCCC2)C1.
What is the InChIKey of 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol?
The InChIKey is ARBAQGZMLNQTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O/c1-16-14-17(20(2)10-6-4-7-11-20)19(22)18(15-16)21(3)12-8-5-9-13-21/h16-19,22H,4-15H2,1-3H3.
What are the key properties of 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol?
4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol has a molecular weight of 306.53 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 18739597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).