3-but-3-enoxy-2H-furan-5-one

C8H10O3 — CID 14526734

IUPAC3-but-3-enoxy-2H-furan-5-one
SMILESC=CCCOC1=CC(=O)OC1
InChIInChI=1S/C8H10O3/c1-2-3-4-10-7-5-8(9)11-6-7/h2,5H,1,3-4,6H2
InChIKeyPYIAPJCDLOVIRI-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.02
Rot. Bonds4

About 3-but-3-enoxy-2H-furan-5-one

3-but-3-enoxy-2H-furan-5-one (PubChem CID 14526734) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-but-3-enoxy-2H-furan-5-one.

Molecular Properties

Compound Name3-but-3-enoxy-2H-furan-5-one
PubChem CID14526734
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-but-3-enoxy-2H-furan-5-one
SMILESC=CCCOC1=CC(=O)OC1
InChIInChI=1S/C8H10O3/c1-2-3-4-10-7-5-8(9)11-6-7/h2,5H,1,3-4,6H2
InChIKeyPYIAPJCDLOVIRI-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.02
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-but-3-enoxy-2H-furan-5-one?
The IUPAC name of 3-but-3-enoxy-2H-furan-5-one (CID 14526734) is 3-but-3-enoxy-2H-furan-5-one.
What is the SMILES notation for 3-but-3-enoxy-2H-furan-5-one?
The canonical SMILES for 3-but-3-enoxy-2H-furan-5-one is C=CCCOC1=CC(=O)OC1.
What is the InChIKey of 3-but-3-enoxy-2H-furan-5-one?
The InChIKey is PYIAPJCDLOVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-4-10-7-5-8(9)11-6-7/h2,5H,1,3-4,6H2.
What are the key properties of 3-but-3-enoxy-2H-furan-5-one?
3-but-3-enoxy-2H-furan-5-one has a molecular weight of 154.16 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxy-2H-furan-5-one is sourced from PubChem (CID 14526734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).