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

C9H16O2 — CID 5352463

IUPAC[(E)-hex-2-enyl] propanoate
SMILESCCC/C=C/COC(=O)CC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKeyLPWKTEHEFDVAQS-VOTSOKGWSA-N
MW156.22 g/mol
LogP2.30
Rot. Bonds5

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

[(E)-hex-2-enyl] propanoate (PubChem CID 5352463) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(E)-hex-2-enyl] propanoate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] propanoate
PubChem CID5352463
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(E)-hex-2-enyl] propanoate
SMILESCCC/C=C/COC(=O)CC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
InChIKeyLPWKTEHEFDVAQS-VOTSOKGWSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl] propanoate?
The IUPAC name of [(E)-hex-2-enyl] propanoate (CID 5352463) is [(E)-hex-2-enyl] propanoate.
What is the SMILES notation for [(E)-hex-2-enyl] propanoate?
The canonical SMILES for [(E)-hex-2-enyl] propanoate is CCC/C=C/COC(=O)CC.
What is the InChIKey of [(E)-hex-2-enyl] propanoate?
The InChIKey is LPWKTEHEFDVAQS-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+.
What are the key properties of [(E)-hex-2-enyl] propanoate?
[(E)-hex-2-enyl] propanoate has a molecular weight of 156.22 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] propanoate is sourced from PubChem (CID 5352463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).