(4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one

C17H20O2 — CID 52943088

IUPAC(4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one
SMILESC=C1C(=O)O[C@@H](C2CCCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C17H20O2/c1-12-15(13-8-4-2-5-9-13)16(19-17(12)18)14-10-6-3-7-11-14/h2,4-5,8-9,14-16H,1,3,6-7,10-11H2/t15-,16+/m1/s1
InChIKeyUVUFJFZDKQSJTL-CVEARBPZSA-N
MW256.34 g/mol
LogP3.83
Rot. Bonds2

About (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one

(4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one (PubChem CID 52943088) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one
PubChem CID52943088
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one
SMILESC=C1C(=O)O[C@@H](C2CCCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C17H20O2/c1-12-15(13-8-4-2-5-9-13)16(19-17(12)18)14-10-6-3-7-11-14/h2,4-5,8-9,14-16H,1,3,6-7,10-11H2/t15-,16+/m1/s1
InChIKeyUVUFJFZDKQSJTL-CVEARBPZSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-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 (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one?
The IUPAC name of (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one (CID 52943088) is (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one is C=C1C(=O)O[C@@H](C2CCCCC2)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one?
The InChIKey is UVUFJFZDKQSJTL-CVEARBPZSA-N. The full InChI is InChI=1S/C17H20O2/c1-12-15(13-8-4-2-5-9-13)16(19-17(12)18)14-10-6-3-7-11-14/h2,4-5,8-9,14-16H,1,3,6-7,10-11H2/t15-,16+/m1/s1.
What are the key properties of (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one?
(4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one has a molecular weight of 256.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-cyclohexyl-3-methylidene-4-phenyloxolan-2-one is sourced from PubChem (CID 52943088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).