[(E)-tetradec-11-enyl] acetate

C16H30O2 — CID 5367650

IUPAC[(E)-tetradec-11-enyl] acetate
SMILESCC/C=C/CCCCCCCCCCOC(C)=O
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4+
InChIKeyYJINQJFQLQIYHX-SNAWJCMRSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds12

About [(E)-tetradec-11-enyl] acetate

[(E)-tetradec-11-enyl] acetate (PubChem CID 5367650) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [(E)-tetradec-11-enyl] acetate.

Molecular Properties

Compound Name[(E)-tetradec-11-enyl] acetate
PubChem CID5367650
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[(E)-tetradec-11-enyl] acetate
SMILESCC/C=C/CCCCCCCCCCOC(C)=O
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4+
InChIKeyYJINQJFQLQIYHX-SNAWJCMRSA-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)-tetradec-11-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)-tetradec-11-enyl] acetate?
The IUPAC name of [(E)-tetradec-11-enyl] acetate (CID 5367650) is [(E)-tetradec-11-enyl] acetate.
What is the SMILES notation for [(E)-tetradec-11-enyl] acetate?
The canonical SMILES for [(E)-tetradec-11-enyl] acetate is CC/C=C/CCCCCCCCCCOC(C)=O.
What is the InChIKey of [(E)-tetradec-11-enyl] acetate?
The InChIKey is YJINQJFQLQIYHX-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4+.
What are the key properties of [(E)-tetradec-11-enyl] acetate?
[(E)-tetradec-11-enyl] acetate 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)-tetradec-11-enyl] acetate is sourced from PubChem (CID 5367650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).