4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one

C10H14O3 — CID 163055837

IUPAC4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one
SMILESCC(C)(O)C=CCC1=CCOC1=O
InChIInChI=1S/C10H14O3/c1-10(2,12)6-3-4-8-5-7-13-9(8)11/h3,5-6,12H,4,7H2,1-2H3
InChIKeyJQLGFJVAPASLOL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds3

About 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one

4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one (PubChem CID 163055837) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one
PubChem CID163055837
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one
SMILESCC(C)(O)C=CCC1=CCOC1=O
InChIInChI=1S/C10H14O3/c1-10(2,12)6-3-4-8-5-7-13-9(8)11/h3,5-6,12H,4,7H2,1-2H3
InChIKeyJQLGFJVAPASLOL-UHFFFAOYSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxy-4-methylpent-2-enyl)-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

Related Compounds

Bombardolide D
CID 10375070
[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl] acetate
CID 14191351
(2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one
CID 11097678
(2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one
CID 11821130
1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
CID 13855813
4-(3-hydroxyprop-1-enyl)-2-propyl-2H-furan-5-one
CID 85125819
(7-Hydroxy-3,7-dimethyl-4-oxoocta-2,5-dienyl) acetate
CID 85533590
Sibiscolacton
CID 102170498
(7-Hydroxy-3,7-dimethylocta-2,5-dienyl) acetate
CID 129684587
Aspergone A
CID 156581208
4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-uran-5-one
CID 163005803
(2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one
CID 163005804

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one?
The IUPAC name of 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one (CID 163055837) is 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one.
What is the SMILES notation for 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one?
The canonical SMILES for 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one is CC(C)(O)C=CCC1=CCOC1=O.
What is the InChIKey of 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one?
The InChIKey is JQLGFJVAPASLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-10(2,12)6-3-4-8-5-7-13-9(8)11/h3,5-6,12H,4,7H2,1-2H3.
What are the key properties of 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one?
4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one is sourced from PubChem (CID 163055837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).