[(E)-hex-2-enyl] pentanoate

C11H20O2 — CID 5352974

IUPAC[(E)-hex-2-enyl] pentanoate
SMILESCCC/C=C/COC(=O)CCCC
InChIInChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyWDXAMNXWZLXISB-BQYQJAHWSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About [(E)-hex-2-enyl] pentanoate

[(E)-hex-2-enyl] pentanoate (PubChem CID 5352974) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-hex-2-enyl] pentanoate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] pentanoate
PubChem CID5352974
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(E)-hex-2-enyl] pentanoate
SMILESCCC/C=C/COC(=O)CCCC
InChIInChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyWDXAMNXWZLXISB-BQYQJAHWSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-hex-2-enyl] pentanoate 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 [(E)-hex-2-enyl] pentanoate?
The IUPAC name of [(E)-hex-2-enyl] pentanoate (CID 5352974) is [(E)-hex-2-enyl] pentanoate.
What is the SMILES notation for [(E)-hex-2-enyl] pentanoate?
The canonical SMILES for [(E)-hex-2-enyl] pentanoate is CCC/C=C/COC(=O)CCCC.
What is the InChIKey of [(E)-hex-2-enyl] pentanoate?
The InChIKey is WDXAMNXWZLXISB-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of [(E)-hex-2-enyl] pentanoate?
[(E)-hex-2-enyl] pentanoate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] pentanoate is sourced from PubChem (CID 5352974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).