[(E)-pent-2-enyl] hexanoate

C11H20O2 — CID 6450462

IUPAC[(E)-pent-2-enyl] hexanoate
SMILESCC/C=C/COC(=O)CCCCC
InChIInChI=1S/C11H20O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h6,8H,3-5,7,9-10H2,1-2H3/b8-6+
InChIKeyZZFNQLFGNVPSOG-SOFGYWHQSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About [(E)-pent-2-enyl] hexanoate

[(E)-pent-2-enyl] hexanoate (PubChem CID 6450462) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-pent-2-enyl] hexanoate.

Molecular Properties

Compound Name[(E)-pent-2-enyl] hexanoate
PubChem CID6450462
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(E)-pent-2-enyl] hexanoate
SMILESCC/C=C/COC(=O)CCCCC
InChIInChI=1S/C11H20O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h6,8H,3-5,7,9-10H2,1-2H3/b8-6+
InChIKeyZZFNQLFGNVPSOG-SOFGYWHQSA-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 [(E)-pent-2-enyl] hexanoate?
The IUPAC name of [(E)-pent-2-enyl] hexanoate (CID 6450462) is [(E)-pent-2-enyl] hexanoate.
What is the SMILES notation for [(E)-pent-2-enyl] hexanoate?
The canonical SMILES for [(E)-pent-2-enyl] hexanoate is CC/C=C/COC(=O)CCCCC.
What is the InChIKey of [(E)-pent-2-enyl] hexanoate?
The InChIKey is ZZFNQLFGNVPSOG-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h6,8H,3-5,7,9-10H2,1-2H3/b8-6+.
What are the key properties of [(E)-pent-2-enyl] hexanoate?
[(E)-pent-2-enyl] hexanoate 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)-pent-2-enyl] hexanoate is sourced from PubChem (CID 6450462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).