[(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate

C16H26O2 — CID 19688872

IUPAC[(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate
SMILESCCCCCCCC/C=C/C=C/C=C/OC(C)=O
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-15H,3-9H2,1-2H3/b11-10+,13-12+,15-14+
InChIKeyDMPBOULTBKYSQE-BAHYSTIISA-N
MW250.38 g/mol
LogP4.93
Rot. Bonds10

About [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate

[(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate (PubChem CID 19688872) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate.

Molecular Properties

Compound Name[(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate
PubChem CID19688872
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name[(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate
SMILESCCCCCCCC/C=C/C=C/C=C/OC(C)=O
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-15H,3-9H2,1-2H3/b11-10+,13-12+,15-14+
InChIKeyDMPBOULTBKYSQE-BAHYSTIISA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(1E,3E,5E)-tetradeca-1,3,5-trienyl] 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 [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate?
The IUPAC name of [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate (CID 19688872) is [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate.
What is the SMILES notation for [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate?
The canonical SMILES for [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate is CCCCCCCC/C=C/C=C/C=C/OC(C)=O.
What is the InChIKey of [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate?
The InChIKey is DMPBOULTBKYSQE-BAHYSTIISA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-15H,3-9H2,1-2H3/b11-10+,13-12+,15-14+.
What are the key properties of [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate?
[(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate has a molecular weight of 250.38 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5E)-tetradeca-1,3,5-trienyl] acetate is sourced from PubChem (CID 19688872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).