2-[(Z)-hex-3-enoxy]-2H-furan-5-one

C10H14O3 — CID 67572786

IUPAC2-[(Z)-hex-3-enoxy]-2H-furan-5-one
SMILESCC/C=C\CCOC1C=CC(=O)O1
InChIInChI=1S/C10H14O3/c1-2-3-4-5-8-12-10-7-6-9(11)13-10/h3-4,6-7,10H,2,5,8H2,1H3/b4-3-
InChIKeyBVNQTYQMTCFXKF-ARJAWSKDSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds5

About 2-[(Z)-hex-3-enoxy]-2H-furan-5-one

2-[(Z)-hex-3-enoxy]-2H-furan-5-one (PubChem CID 67572786) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[(Z)-hex-3-enoxy]-2H-furan-5-one.

Molecular Properties

Compound Name2-[(Z)-hex-3-enoxy]-2H-furan-5-one
PubChem CID67572786
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-[(Z)-hex-3-enoxy]-2H-furan-5-one
SMILESCC/C=C\CCOC1C=CC(=O)O1
InChIInChI=1S/C10H14O3/c1-2-3-4-5-8-12-10-7-6-9(11)13-10/h3-4,6-7,10H,2,5,8H2,1H3/b4-3-
InChIKeyBVNQTYQMTCFXKF-ARJAWSKDSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
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'}

Analyze 2-[(Z)-hex-3-enoxy]-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-[(Z)-hex-3-enoxy]-2H-furan-5-one?
The IUPAC name of 2-[(Z)-hex-3-enoxy]-2H-furan-5-one (CID 67572786) is 2-[(Z)-hex-3-enoxy]-2H-furan-5-one.
What is the SMILES notation for 2-[(Z)-hex-3-enoxy]-2H-furan-5-one?
The canonical SMILES for 2-[(Z)-hex-3-enoxy]-2H-furan-5-one is CC/C=C\CCOC1C=CC(=O)O1.
What is the InChIKey of 2-[(Z)-hex-3-enoxy]-2H-furan-5-one?
The InChIKey is BVNQTYQMTCFXKF-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-3-4-5-8-12-10-7-6-9(11)13-10/h3-4,6-7,10H,2,5,8H2,1H3/b4-3-.
What are the key properties of 2-[(Z)-hex-3-enoxy]-2H-furan-5-one?
2-[(Z)-hex-3-enoxy]-2H-furan-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hex-3-enoxy]-2H-furan-5-one is sourced from PubChem (CID 67572786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).