3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one

C15H22O3 — CID 54678669

IUPAC3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC/C=C/C(C)C1=C(O)C2(CCCCC2)OC1=O
InChIInChI=1S/C15H22O3/c1-3-4-8-11(2)12-13(16)15(18-14(12)17)9-6-5-7-10-15/h4,8,11,16H,3,5-7,9-10H2,1-2H3/b8-4+
InChIKeyXNZUWEBMKLHFES-XBXARRHUSA-N
MW250.34 g/mol
LogP3.66
Rot. Bonds3

About 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one

3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 54678669) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID54678669
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC/C=C/C(C)C1=C(O)C2(CCCCC2)OC1=O
InChIInChI=1S/C15H22O3/c1-3-4-8-11(2)12-13(16)15(18-14(12)17)9-6-5-7-10-15/h4,8,11,16H,3,5-7,9-10H2,1-2H3/b8-4+
InChIKeyXNZUWEBMKLHFES-XBXARRHUSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-hex-3-en-2-yl]-4-hydroxy-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-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one (CID 54678669) is 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one is CC/C=C/C(C)C1=C(O)C2(CCCCC2)OC1=O.
What is the InChIKey of 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is XNZUWEBMKLHFES-XBXARRHUSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-4-8-11(2)12-13(16)15(18-14(12)17)9-6-5-7-10-15/h4,8,11,16H,3,5-7,9-10H2,1-2H3/b8-4+.
What are the key properties of 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 54678669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).