3-ethyl-5-methylcyclohexane-1,2-diol

C9H18O2 — CID 118343814

IUPAC3-ethyl-5-methylcyclohexane-1,2-diol
SMILESCCC1CC(C)CC(O)C1O
InChIInChI=1S/C9H18O2/c1-3-7-4-6(2)5-8(10)9(7)11/h6-11H,3-5H2,1-2H3
InChIKeyWYTBACSRZIUWSD-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.16
Rot. Bonds1

About 3-ethyl-5-methylcyclohexane-1,2-diol

3-ethyl-5-methylcyclohexane-1,2-diol (PubChem CID 118343814) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-ethyl-5-methylcyclohexane-1,2-diol.

Molecular Properties

Compound Name3-ethyl-5-methylcyclohexane-1,2-diol
PubChem CID118343814
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-ethyl-5-methylcyclohexane-1,2-diol
SMILESCCC1CC(C)CC(O)C1O
InChIInChI=1S/C9H18O2/c1-3-7-4-6(2)5-8(10)9(7)11/h6-11H,3-5H2,1-2H3
InChIKeyWYTBACSRZIUWSD-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-5-methylcyclohexane-1,2-diol 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 3-ethyl-5-methylcyclohexane-1,2-diol?
The IUPAC name of 3-ethyl-5-methylcyclohexane-1,2-diol (CID 118343814) is 3-ethyl-5-methylcyclohexane-1,2-diol.
What is the SMILES notation for 3-ethyl-5-methylcyclohexane-1,2-diol?
The canonical SMILES for 3-ethyl-5-methylcyclohexane-1,2-diol is CCC1CC(C)CC(O)C1O.
What is the InChIKey of 3-ethyl-5-methylcyclohexane-1,2-diol?
The InChIKey is WYTBACSRZIUWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-7-4-6(2)5-8(10)9(7)11/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-5-methylcyclohexane-1,2-diol?
3-ethyl-5-methylcyclohexane-1,2-diol has a molecular weight of 158.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylcyclohexane-1,2-diol is sourced from PubChem (CID 118343814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).