5-phenylpenta-3,4-dienyl acetate

C13H14O2 — CID 166437890

IUPAC5-phenylpenta-3,4-dienyl acetate
SMILESCC(=O)OCCC=C=Cc1ccccc1
InChIInChI=1S/C13H14O2/c1-12(14)15-11-7-3-6-10-13-8-4-2-5-9-13/h2-5,8-10H,7,11H2,1H3
InChIKeyQNWSHHSQMPDMAT-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.81
Rot. Bonds4

About 5-phenylpenta-3,4-dienyl acetate

5-phenylpenta-3,4-dienyl acetate (PubChem CID 166437890) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-phenylpenta-3,4-dienyl acetate.

Molecular Properties

Compound Name5-phenylpenta-3,4-dienyl acetate
PubChem CID166437890
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name5-phenylpenta-3,4-dienyl acetate
SMILESCC(=O)OCCC=C=Cc1ccccc1
InChIInChI=1S/C13H14O2/c1-12(14)15-11-7-3-6-10-13-8-4-2-5-9-13/h2-5,8-10H,7,11H2,1H3
InChIKeyQNWSHHSQMPDMAT-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-phenylhexa-4,5-dienyl carbonate
CID 10800443
CID 101448364
CID 101448364
octa-1,2-dienylbenzene
CID 12066892
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
ethyl acetate;stilbene
CID 159556390
1-[4-(3-phenylpropa-1,2-dienyl)phenyl]ethanone
CID 102318435
[(3E)-4-phenylhexa-3,5-dienyl] acetate
CID 102287697
[(E)-7-phenylhept-3-enyl] acetate
CID 102243528
2-phenylethyl acetate
CID 7654
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
acetic acid;2-phenylethyl acetate
CID 174791962
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319

Frequently Asked Questions

What is the IUPAC name of 5-phenylpenta-3,4-dienyl acetate?
The IUPAC name of 5-phenylpenta-3,4-dienyl acetate (CID 166437890) is 5-phenylpenta-3,4-dienyl acetate.
What is the SMILES notation for 5-phenylpenta-3,4-dienyl acetate?
The canonical SMILES for 5-phenylpenta-3,4-dienyl acetate is CC(=O)OCCC=C=Cc1ccccc1.
What is the InChIKey of 5-phenylpenta-3,4-dienyl acetate?
The InChIKey is QNWSHHSQMPDMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-12(14)15-11-7-3-6-10-13-8-4-2-5-9-13/h2-5,8-10H,7,11H2,1H3.
What are the key properties of 5-phenylpenta-3,4-dienyl acetate?
5-phenylpenta-3,4-dienyl acetate has a molecular weight of 202.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpenta-3,4-dienyl acetate is sourced from PubChem (CID 166437890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).