ethyl (4E)-5-phenylpenta-2,4-dienoate

C13H14O2 — CID 173106795

IUPACethyl (4E)-5-phenylpenta-2,4-dienoate
SMILESCCOC(=O)C=C/C=C/c1ccccc1
InChIInChI=1S/C13H14O2/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-11H,2H2,1H3/b10-6+,11-7?
InChIKeyNLKBBWBCWHTRAJ-WYXIJEACSA-N
MW202.25 g/mol
LogP2.82
Rot. Bonds4

About ethyl (4E)-5-phenylpenta-2,4-dienoate

ethyl (4E)-5-phenylpenta-2,4-dienoate (PubChem CID 173106795) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (4E)-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (4E)-5-phenylpenta-2,4-dienoate
PubChem CID173106795
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Nameethyl (4E)-5-phenylpenta-2,4-dienoate
SMILESCCOC(=O)C=C/C=C/c1ccccc1
InChIInChI=1S/C13H14O2/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-11H,2H2,1H3/b10-6+,11-7?
InChIKeyNLKBBWBCWHTRAJ-WYXIJEACSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

diethyl (2S)-2-[(2E,4E)-5-phenylpenta-2,4-dienoyl]oxybutanedioate
CID 168973637
ethyl 5-(4-aminophenyl)penta-2,4-dienoate;hydrochloride
CID 140968194
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
acetyloxymethyl (2E,4E)-5-phenylpenta-2,4-dienoate
CID 22731468
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919
ethyl 6-phenylhexa-2,3,5-trienoate
CID 54037447
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
CID 14940603
2-ethylhexyl 5-phenylpenta-2,4-dienoate
CID 139603020
ethyl 3-(4-benzoylphenyl)prop-2-enoate
CID 73018400

Frequently Asked Questions

What is the IUPAC name of ethyl (4E)-5-phenylpenta-2,4-dienoate?
The IUPAC name of ethyl (4E)-5-phenylpenta-2,4-dienoate (CID 173106795) is ethyl (4E)-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (4E)-5-phenylpenta-2,4-dienoate?
The canonical SMILES for ethyl (4E)-5-phenylpenta-2,4-dienoate is CCOC(=O)C=C/C=C/c1ccccc1.
What is the InChIKey of ethyl (4E)-5-phenylpenta-2,4-dienoate?
The InChIKey is NLKBBWBCWHTRAJ-WYXIJEACSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-11H,2H2,1H3/b10-6+,11-7?.
What are the key properties of ethyl (4E)-5-phenylpenta-2,4-dienoate?
ethyl (4E)-5-phenylpenta-2,4-dienoate has a molecular weight of 202.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E)-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 173106795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).