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

C16H30O2 — CID 5353037

IUPAC[(E)-undec-2-enyl] pentanoate
SMILESCCCCCCCC/C=C/COC(=O)CCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+
InChIKeyDNXKABMLNDEGAE-OUKQBFOZSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds12

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

[(E)-undec-2-enyl] pentanoate (PubChem CID 5353037) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [(E)-undec-2-enyl] pentanoate.

Molecular Properties

Compound Name[(E)-undec-2-enyl] pentanoate
PubChem CID5353037
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[(E)-undec-2-enyl] pentanoate
SMILESCCCCCCCC/C=C/COC(=O)CCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+
InChIKeyDNXKABMLNDEGAE-OUKQBFOZSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.03
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'}

Analyze [(E)-undec-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)-undec-2-enyl] pentanoate?
The IUPAC name of [(E)-undec-2-enyl] pentanoate (CID 5353037) is [(E)-undec-2-enyl] pentanoate.
What is the SMILES notation for [(E)-undec-2-enyl] pentanoate?
The canonical SMILES for [(E)-undec-2-enyl] pentanoate is CCCCCCCC/C=C/COC(=O)CCCC.
What is the InChIKey of [(E)-undec-2-enyl] pentanoate?
The InChIKey is DNXKABMLNDEGAE-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+.
What are the key properties of [(E)-undec-2-enyl] pentanoate?
[(E)-undec-2-enyl] pentanoate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-undec-2-enyl] pentanoate is sourced from PubChem (CID 5353037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).