3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one

C18H20O2 — CID 134851738

IUPAC3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESC=CCC1=C(c2ccccc2)C(=O)OC12CCCCC2
InChIInChI=1S/C18H20O2/c1-2-9-15-16(14-10-5-3-6-11-14)17(19)20-18(15)12-7-4-8-13-18/h2-3,5-6,10-11H,1,4,7-9,12-13H2
InChIKeyQBOUWJBBPNIZOK-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.28
Rot. Bonds3

About 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one

3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 134851738) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID134851738
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESC=CCC1=C(c2ccccc2)C(=O)OC12CCCCC2
InChIInChI=1S/C18H20O2/c1-2-9-15-16(14-10-5-3-6-11-14)17(19)20-18(15)12-7-4-8-13-18/h2-3,5-6,10-11H,1,4,7-9,12-13H2
InChIKeyQBOUWJBBPNIZOK-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-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 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one (CID 134851738) is 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one is C=CCC1=C(c2ccccc2)C(=O)OC12CCCCC2.
What is the InChIKey of 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is QBOUWJBBPNIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-9-15-16(14-10-5-3-6-11-14)17(19)20-18(15)12-7-4-8-13-18/h2-3,5-6,10-11H,1,4,7-9,12-13H2.
What are the key properties of 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one?
3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 268.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 134851738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).