3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one

C11H16O3 — CID 78093701

IUPAC3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one
SMILESCC=CCCC(O)C1=C(C)C(=O)OC1
InChIInChI=1S/C11H16O3/c1-3-4-5-6-10(12)9-7-14-11(13)8(9)2/h3-4,10,12H,5-7H2,1-2H3
InChIKeyWGPOFWGOLKSEIR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.58
Rot. Bonds4

About 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one

3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one (PubChem CID 78093701) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one
PubChem CID78093701
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one
SMILESCC=CCCC(O)C1=C(C)C(=O)OC1
InChIInChI=1S/C11H16O3/c1-3-4-5-6-10(12)9-7-14-11(13)8(9)2/h3-4,10,12H,5-7H2,1-2H3
InChIKeyWGPOFWGOLKSEIR-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-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-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one?
The IUPAC name of 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one (CID 78093701) is 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one is CC=CCCC(O)C1=C(C)C(=O)OC1.
What is the InChIKey of 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one?
The InChIKey is WGPOFWGOLKSEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-4-5-6-10(12)9-7-14-11(13)8(9)2/h3-4,10,12H,5-7H2,1-2H3.
What are the key properties of 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one?
3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one has a molecular weight of 196.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyhex-4-enyl)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 78093701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).