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

C13H24O2 — CID 5363202

IUPAC[(E)-undec-2-enyl] acetate
SMILESCCCCCCCC/C=C/COC(C)=O
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h10-11H,3-9,12H2,1-2H3/b11-10+
InChIKeyWITKTXDMHHYCJB-ZHACJKMWSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds9

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

[(E)-undec-2-enyl] acetate (PubChem CID 5363202) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [(E)-undec-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-undec-2-enyl] acetate
PubChem CID5363202
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[(E)-undec-2-enyl] acetate
SMILESCCCCCCCC/C=C/COC(C)=O
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h10-11H,3-9,12H2,1-2H3/b11-10+
InChIKeyWITKTXDMHHYCJB-ZHACJKMWSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.86
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] acetate 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] acetate?
The IUPAC name of [(E)-undec-2-enyl] acetate (CID 5363202) is [(E)-undec-2-enyl] acetate.
What is the SMILES notation for [(E)-undec-2-enyl] acetate?
The canonical SMILES for [(E)-undec-2-enyl] acetate is CCCCCCCC/C=C/COC(C)=O.
What is the InChIKey of [(E)-undec-2-enyl] acetate?
The InChIKey is WITKTXDMHHYCJB-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h10-11H,3-9,12H2,1-2H3/b11-10+.
What are the key properties of [(E)-undec-2-enyl] acetate?
[(E)-undec-2-enyl] acetate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-undec-2-enyl] acetate is sourced from PubChem (CID 5363202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).