(1-ethoxy-4,4-dimethylcyclohexyl)methanol

C11H22O2 — CID 130591113

IUPAC(1-ethoxy-4,4-dimethylcyclohexyl)methanol
SMILESCCOC1(CO)CCC(C)(C)CC1
InChIInChI=1S/C11H22O2/c1-4-13-11(9-12)7-5-10(2,3)6-8-11/h12H,4-9H2,1-3H3
InChIKeyPKWPDILRRPECJH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds3

About (1-ethoxy-4,4-dimethylcyclohexyl)methanol

(1-ethoxy-4,4-dimethylcyclohexyl)methanol (PubChem CID 130591113) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethylcyclohexyl)methanol
PubChem CID130591113
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(1-ethoxy-4,4-dimethylcyclohexyl)methanol
SMILESCCOC1(CO)CCC(C)(C)CC1
InChIInChI=1S/C11H22O2/c1-4-13-11(9-12)7-5-10(2,3)6-8-11/h12H,4-9H2,1-3H3
InChIKeyPKWPDILRRPECJH-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-ethoxy-4,4-dimethylcyclohexyl)methanol 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-ethoxy-4,4-dimethylcyclohexyl)methanol?
The IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)methanol (CID 130591113) is (1-ethoxy-4,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (1-ethoxy-4,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (1-ethoxy-4,4-dimethylcyclohexyl)methanol is CCOC1(CO)CCC(C)(C)CC1.
What is the InChIKey of (1-ethoxy-4,4-dimethylcyclohexyl)methanol?
The InChIKey is PKWPDILRRPECJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-13-11(9-12)7-5-10(2,3)6-8-11/h12H,4-9H2,1-3H3.
What are the key properties of (1-ethoxy-4,4-dimethylcyclohexyl)methanol?
(1-ethoxy-4,4-dimethylcyclohexyl)methanol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 130591113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).