3-pent-4-enoxy-2H-furan-5-one

C9H12O3 — CID 11159546

IUPAC3-pent-4-enoxy-2H-furan-5-one
SMILESC=CCCCOC1=CC(=O)OC1
InChIInChI=1S/C9H12O3/c1-2-3-4-5-11-8-6-9(10)12-7-8/h2,6H,1,3-5,7H2
InChIKeyHMPVJVIMGFWAGQ-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.41
Rot. Bonds5

About 3-pent-4-enoxy-2H-furan-5-one

3-pent-4-enoxy-2H-furan-5-one (PubChem CID 11159546) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-pent-4-enoxy-2H-furan-5-one.

Molecular Properties

Compound Name3-pent-4-enoxy-2H-furan-5-one
PubChem CID11159546
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name3-pent-4-enoxy-2H-furan-5-one
SMILESC=CCCCOC1=CC(=O)OC1
InChIInChI=1S/C9H12O3/c1-2-3-4-5-11-8-6-9(10)12-7-8/h2,6H,1,3-5,7H2
InChIKeyHMPVJVIMGFWAGQ-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enoxy-2H-furan-5-one?
The IUPAC name of 3-pent-4-enoxy-2H-furan-5-one (CID 11159546) is 3-pent-4-enoxy-2H-furan-5-one.
What is the SMILES notation for 3-pent-4-enoxy-2H-furan-5-one?
The canonical SMILES for 3-pent-4-enoxy-2H-furan-5-one is C=CCCCOC1=CC(=O)OC1.
What is the InChIKey of 3-pent-4-enoxy-2H-furan-5-one?
The InChIKey is HMPVJVIMGFWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-2-3-4-5-11-8-6-9(10)12-7-8/h2,6H,1,3-5,7H2.
What are the key properties of 3-pent-4-enoxy-2H-furan-5-one?
3-pent-4-enoxy-2H-furan-5-one has a molecular weight of 168.19 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enoxy-2H-furan-5-one is sourced from PubChem (CID 11159546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).