1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol

C16H30O — CID 64756014

IUPAC1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCC(C2(O)CCCC(C)C2C)CC1C
InChIInChI=1S/C16H30O/c1-11-7-8-15(10-13(11)3)16(17)9-5-6-12(2)14(16)4/h11-15,17H,5-10H2,1-4H3
InChIKeyVJFPTBIKJFDJQC-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.25
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol

1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol (PubChem CID 64756014) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
PubChem CID64756014
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCC(C2(O)CCCC(C)C2C)CC1C
InChIInChI=1S/C16H30O/c1-11-7-8-15(10-13(11)3)16(17)9-5-6-12(2)14(16)4/h11-15,17H,5-10H2,1-4H3
InChIKeyVJFPTBIKJFDJQC-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol (CID 64756014) is 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol is CC1CCC(C2(O)CCCC(C)C2C)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is VJFPTBIKJFDJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-11-7-8-15(10-13(11)3)16(17)9-5-6-12(2)14(16)4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol?
1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64756014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).