2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol

C14H28O2 — CID 174965329

IUPAC2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol
SMILESCCCC(CO)(OCC)C1CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-4-10-14(11-15,16-5-2)13-8-6-12(3)7-9-13/h12-13,15H,4-11H2,1-3H3
InChIKeyOUABCEXAQXJRRH-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds6

About 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol

2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol (PubChem CID 174965329) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol
PubChem CID174965329
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol
SMILESCCCC(CO)(OCC)C1CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-4-10-14(11-15,16-5-2)13-8-6-12(3)7-9-13/h12-13,15H,4-11H2,1-3H3
InChIKeyOUABCEXAQXJRRH-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-2-(4-methylcyclohexyl)pentan-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 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol?
The IUPAC name of 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol (CID 174965329) is 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol.
What is the SMILES notation for 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol?
The canonical SMILES for 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol is CCCC(CO)(OCC)C1CCC(C)CC1.
What is the InChIKey of 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol?
The InChIKey is OUABCEXAQXJRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-10-14(11-15,16-5-2)13-8-6-12(3)7-9-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol?
2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(4-methylcyclohexyl)pentan-1-ol is sourced from PubChem (CID 174965329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).