2-methyl-4-pent-4-enyl-2H-furan-5-one

C10H14O2 — CID 15025012

IUPAC2-methyl-4-pent-4-enyl-2H-furan-5-one
SMILESC=CCCCC1=CC(C)OC1=O
InChIInChI=1S/C10H14O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h3,7-8H,1,4-6H2,2H3
InChIKeyMEMKEOCCBNDZJL-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds4

About 2-methyl-4-pent-4-enyl-2H-furan-5-one

2-methyl-4-pent-4-enyl-2H-furan-5-one (PubChem CID 15025012) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-4-pent-4-enyl-2H-furan-5-one.

Molecular Properties

Compound Name2-methyl-4-pent-4-enyl-2H-furan-5-one
PubChem CID15025012
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methyl-4-pent-4-enyl-2H-furan-5-one
SMILESC=CCCCC1=CC(C)OC1=O
InChIInChI=1S/C10H14O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h3,7-8H,1,4-6H2,2H3
InChIKeyMEMKEOCCBNDZJL-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-pent-4-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 2-methyl-4-pent-4-enyl-2H-furan-5-one?
The IUPAC name of 2-methyl-4-pent-4-enyl-2H-furan-5-one (CID 15025012) is 2-methyl-4-pent-4-enyl-2H-furan-5-one.
What is the SMILES notation for 2-methyl-4-pent-4-enyl-2H-furan-5-one?
The canonical SMILES for 2-methyl-4-pent-4-enyl-2H-furan-5-one is C=CCCCC1=CC(C)OC1=O.
What is the InChIKey of 2-methyl-4-pent-4-enyl-2H-furan-5-one?
The InChIKey is MEMKEOCCBNDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-methyl-4-pent-4-enyl-2H-furan-5-one?
2-methyl-4-pent-4-enyl-2H-furan-5-one has a molecular weight of 166.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pent-4-enyl-2H-furan-5-one is sourced from PubChem (CID 15025012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).