[(Z)-hex-3-enyl] pentanoate

C11H20O2 — CID 5367682

IUPAC[(Z)-hex-3-enyl] pentanoate
SMILESCC/C=C\CCOC(=O)CCCC
InChIInChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
InChIKeyXPFTVTFOOTVHIA-ALCCZGGFSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About [(Z)-hex-3-enyl] pentanoate

[(Z)-hex-3-enyl] pentanoate (PubChem CID 5367682) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] pentanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] pentanoate
PubChem CID5367682
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(Z)-hex-3-enyl] pentanoate
SMILESCC/C=C\CCOC(=O)CCCC
InChIInChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
InChIKeyXPFTVTFOOTVHIA-ALCCZGGFSA-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': '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 [(Z)-hex-3-enyl] pentanoate?
The IUPAC name of [(Z)-hex-3-enyl] pentanoate (CID 5367682) is [(Z)-hex-3-enyl] pentanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] pentanoate?
The canonical SMILES for [(Z)-hex-3-enyl] pentanoate is CC/C=C\CCOC(=O)CCCC.
What is the InChIKey of [(Z)-hex-3-enyl] pentanoate?
The InChIKey is XPFTVTFOOTVHIA-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-.
What are the key properties of [(Z)-hex-3-enyl] pentanoate?
[(Z)-hex-3-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 [(Z)-hex-3-enyl] pentanoate is sourced from PubChem (CID 5367682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).