2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one

C13H20O2 — CID 130785572

IUPAC2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(CCC2CCCCC2)C1
InChIInChI=1S/C13H20O2/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h8-9,11,13H,1-7,10H2
InChIKeyLJXTUKXDLNYONA-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds3

About 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one

2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one (PubChem CID 130785572) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one
PubChem CID130785572
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(CCC2CCCCC2)C1
InChIInChI=1S/C13H20O2/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h8-9,11,13H,1-7,10H2
InChIKeyLJXTUKXDLNYONA-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one 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-(2-cyclohexylethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one (CID 130785572) is 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one is O=C1C=COC(CCC2CCCCC2)C1.
What is the InChIKey of 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one?
The InChIKey is LJXTUKXDLNYONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h8-9,11,13H,1-7,10H2.
What are the key properties of 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one?
2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one has a molecular weight of 208.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 130785572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).