1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol

C13H26O — CID 64731273

IUPAC1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1CC(C)CC(C)C1
InChIInChI=1S/C13H26O/c1-5-11(4)13(14)12-7-9(2)6-10(3)8-12/h9-14H,5-8H2,1-4H3
InChIKeyASENIKFDHSFNBX-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol

1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol (PubChem CID 64731273) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
PubChem CID64731273
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1CC(C)CC(C)C1
InChIInChI=1S/C13H26O/c1-5-11(4)13(14)12-7-9(2)6-10(3)8-12/h9-14H,5-8H2,1-4H3
InChIKeyASENIKFDHSFNBX-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylcyclohexyl)-2-methylbutan-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-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol (CID 64731273) is 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol is CCC(C)C(O)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol?
The InChIKey is ASENIKFDHSFNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-11(4)13(14)12-7-9(2)6-10(3)8-12/h9-14H,5-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol?
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol is sourced from PubChem (CID 64731273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).