4-(4-methylpent-3-enyl)-2H-furan-5-one

C10H14O2 — CID 71370840

IUPAC4-(4-methylpent-3-enyl)-2H-furan-5-one
SMILESCC(C)=CCCC1=CCOC1=O
InChIInChI=1S/C10H14O2/c1-8(2)4-3-5-9-6-7-12-10(9)11/h4,6H,3,5,7H2,1-2H3
InChIKeyBZDXICZLRPLJBC-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds3

About 4-(4-methylpent-3-enyl)-2H-furan-5-one

4-(4-methylpent-3-enyl)-2H-furan-5-one (PubChem CID 71370840) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(4-methylpent-3-enyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-methylpent-3-enyl)-2H-furan-5-one
PubChem CID71370840
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-(4-methylpent-3-enyl)-2H-furan-5-one
SMILESCC(C)=CCCC1=CCOC1=O
InChIInChI=1S/C10H14O2/c1-8(2)4-3-5-9-6-7-12-10(9)11/h4,6H,3,5,7H2,1-2H3
InChIKeyBZDXICZLRPLJBC-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-methylpent-3-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-3-enyl)-2H-furan-5-one?
The IUPAC name of 4-(4-methylpent-3-enyl)-2H-furan-5-one (CID 71370840) is 4-(4-methylpent-3-enyl)-2H-furan-5-one.
What is the SMILES notation for 4-(4-methylpent-3-enyl)-2H-furan-5-one?
The canonical SMILES for 4-(4-methylpent-3-enyl)-2H-furan-5-one is CC(C)=CCCC1=CCOC1=O.
What is the InChIKey of 4-(4-methylpent-3-enyl)-2H-furan-5-one?
The InChIKey is BZDXICZLRPLJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(2)4-3-5-9-6-7-12-10(9)11/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 4-(4-methylpent-3-enyl)-2H-furan-5-one?
4-(4-methylpent-3-enyl)-2H-furan-5-one has a molecular weight of 166.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-3-enyl)-2H-furan-5-one is sourced from PubChem (CID 71370840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).