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

C13H22O2 — CID 6366719

IUPAC[(E)-hex-2-enyl] 2-cyclopentylacetate
SMILESCCC/C=C/COC(=O)CC1CCCC1
InChIInChI=1S/C13H22O2/c1-2-3-4-7-10-15-13(14)11-12-8-5-6-9-12/h4,7,12H,2-3,5-6,8-11H2,1H3/b7-4+
InChIKeyXXVUXTVTKODKQZ-QPJJXVBHSA-N
MW210.32 g/mol
LogP3.47
Rot. Bonds6

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

[(E)-hex-2-enyl] 2-cyclopentylacetate (PubChem CID 6366719) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is [(E)-hex-2-enyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] 2-cyclopentylacetate
PubChem CID6366719
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name[(E)-hex-2-enyl] 2-cyclopentylacetate
SMILESCCC/C=C/COC(=O)CC1CCCC1
InChIInChI=1S/C13H22O2/c1-2-3-4-7-10-15-13(14)11-12-8-5-6-9-12/h4,7,12H,2-3,5-6,8-11H2,1H3/b7-4+
InChIKeyXXVUXTVTKODKQZ-QPJJXVBHSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.47
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] 2-cyclopentylacetate?
The IUPAC name of [(E)-hex-2-enyl] 2-cyclopentylacetate (CID 6366719) is [(E)-hex-2-enyl] 2-cyclopentylacetate.
What is the SMILES notation for [(E)-hex-2-enyl] 2-cyclopentylacetate?
The canonical SMILES for [(E)-hex-2-enyl] 2-cyclopentylacetate is CCC/C=C/COC(=O)CC1CCCC1.
What is the InChIKey of [(E)-hex-2-enyl] 2-cyclopentylacetate?
The InChIKey is XXVUXTVTKODKQZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-7-10-15-13(14)11-12-8-5-6-9-12/h4,7,12H,2-3,5-6,8-11H2,1H3/b7-4+.
What are the key properties of [(E)-hex-2-enyl] 2-cyclopentylacetate?
[(E)-hex-2-enyl] 2-cyclopentylacetate has a molecular weight of 210.32 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] 2-cyclopentylacetate is sourced from PubChem (CID 6366719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).