[(3E)-4-phenylhexa-3,5-dienyl] acetate

C14H16O2 — CID 102287697

IUPAC[(3E)-4-phenylhexa-3,5-dienyl] acetate
SMILESC=C/C(=C\CCOC(C)=O)c1ccccc1
InChIInChI=1S/C14H16O2/c1-3-13(10-7-11-16-12(2)15)14-8-5-4-6-9-14/h3-6,8-10H,1,7,11H2,2H3/b13-10+
InChIKeyWJLNHMNLHYKMEF-JLHYYAGUSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds5

About [(3E)-4-phenylhexa-3,5-dienyl] acetate

[(3E)-4-phenylhexa-3,5-dienyl] acetate (PubChem CID 102287697) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(3E)-4-phenylhexa-3,5-dienyl] acetate.

Molecular Properties

Compound Name[(3E)-4-phenylhexa-3,5-dienyl] acetate
PubChem CID102287697
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name[(3E)-4-phenylhexa-3,5-dienyl] acetate
SMILESC=C/C(=C\CCOC(C)=O)c1ccccc1
InChIInChI=1S/C14H16O2/c1-3-13(10-7-11-16-12(2)15)14-8-5-4-6-9-14/h3-6,8-10H,1,7,11H2,2H3/b13-10+
InChIKeyWJLNHMNLHYKMEF-JLHYYAGUSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E)-4-phenylhexa-3,5-dienyl] acetate?
The IUPAC name of [(3E)-4-phenylhexa-3,5-dienyl] acetate (CID 102287697) is [(3E)-4-phenylhexa-3,5-dienyl] acetate.
What is the SMILES notation for [(3E)-4-phenylhexa-3,5-dienyl] acetate?
The canonical SMILES for [(3E)-4-phenylhexa-3,5-dienyl] acetate is C=C/C(=C\CCOC(C)=O)c1ccccc1.
What is the InChIKey of [(3E)-4-phenylhexa-3,5-dienyl] acetate?
The InChIKey is WJLNHMNLHYKMEF-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-13(10-7-11-16-12(2)15)14-8-5-4-6-9-14/h3-6,8-10H,1,7,11H2,2H3/b13-10+.
What are the key properties of [(3E)-4-phenylhexa-3,5-dienyl] acetate?
[(3E)-4-phenylhexa-3,5-dienyl] acetate has a molecular weight of 216.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-phenylhexa-3,5-dienyl] acetate is sourced from PubChem (CID 102287697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).