[(Z)-pent-2-enyl] acetate

C7H12O2 — CID 5363400

IUPAC[(Z)-pent-2-enyl] acetate
SMILESCC/C=C\COC(C)=O
InChIInChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h4-5H,3,6H2,1-2H3/b5-4-
InChIKeyWGGJTPQHVFOGPN-PLNGDYQASA-N
MW128.17 g/mol
LogP1.52
Rot. Bonds3

About [(Z)-pent-2-enyl] acetate

[(Z)-pent-2-enyl] acetate (PubChem CID 5363400) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(Z)-pent-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-pent-2-enyl] acetate
PubChem CID5363400
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(Z)-pent-2-enyl] acetate
SMILESCC/C=C\COC(C)=O
InChIInChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h4-5H,3,6H2,1-2H3/b5-4-
InChIKeyWGGJTPQHVFOGPN-PLNGDYQASA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-pent-2-enyl] acetate 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 [(Z)-pent-2-enyl] acetate?
The IUPAC name of [(Z)-pent-2-enyl] acetate (CID 5363400) is [(Z)-pent-2-enyl] acetate.
What is the SMILES notation for [(Z)-pent-2-enyl] acetate?
The canonical SMILES for [(Z)-pent-2-enyl] acetate is CC/C=C\COC(C)=O.
What is the InChIKey of [(Z)-pent-2-enyl] acetate?
The InChIKey is WGGJTPQHVFOGPN-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h4-5H,3,6H2,1-2H3/b5-4-.
What are the key properties of [(Z)-pent-2-enyl] acetate?
[(Z)-pent-2-enyl] acetate has a molecular weight of 128.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-2-enyl] acetate is sourced from PubChem (CID 5363400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).