ethyl (2E,4E)-7-phenylhepta-2,4-dienoate

C15H18O2 — CID 20628704

IUPACethyl (2E,4E)-7-phenylhepta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CCc1ccccc1
InChIInChI=1S/C15H18O2/c1-2-17-15(16)13-9-4-3-6-10-14-11-7-5-8-12-14/h3-5,7-9,11-13H,2,6,10H2,1H3/b4-3+,13-9+
InChIKeyGZOXVJMOONPNPZ-GUNLQBCDSA-N
MW230.31 g/mol
LogP3.29
Rot. Bonds6

About ethyl (2E,4E)-7-phenylhepta-2,4-dienoate

ethyl (2E,4E)-7-phenylhepta-2,4-dienoate (PubChem CID 20628704) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl (2E,4E)-7-phenylhepta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-7-phenylhepta-2,4-dienoate
PubChem CID20628704
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethyl (2E,4E)-7-phenylhepta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CCc1ccccc1
InChIInChI=1S/C15H18O2/c1-2-17-15(16)13-9-4-3-6-10-14-11-7-5-8-12-14/h3-5,7-9,11-13H,2,6,10H2,1H3/b4-3+,13-9+
InChIKeyGZOXVJMOONPNPZ-GUNLQBCDSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.29
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

ethyl (2E,4E)-8-phenylmethoxyocta-2,4-dienoate
CID 11097751
ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
CID 11499739
ethyl (E)-9-phenylnon-2-enoate
CID 10753852
ethyl (E)-5-(3-methylphenyl)pent-2-enoate
CID 140750372
(2E,4E)-2-ethoxycarbonyl-7-phenylhepta-2,4-dienoic acid
CID 88730717
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
7-phenyl-N-propylhepta-2,4-dienamide
CID 123644978
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
ethyl 6-phenylhexa-2,3-dienoate
CID 122224690
2-phenylethyl (4E)-hexa-2,4-dienoate
CID 137320029
ethyl (2E,4E,8Z,11Z,14Z,17Z)-icosa-2,4,8,11,14,17-hexaenoate
CID 25010677
ethyl hepta-2,4-dienoate
CID 54483010

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-7-phenylhepta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-7-phenylhepta-2,4-dienoate (CID 20628704) is ethyl (2E,4E)-7-phenylhepta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-7-phenylhepta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-7-phenylhepta-2,4-dienoate is CCOC(=O)/C=C/C=C/CCc1ccccc1.
What is the InChIKey of ethyl (2E,4E)-7-phenylhepta-2,4-dienoate?
The InChIKey is GZOXVJMOONPNPZ-GUNLQBCDSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-17-15(16)13-9-4-3-6-10-14-11-7-5-8-12-14/h3-5,7-9,11-13H,2,6,10H2,1H3/b4-3+,13-9+.
What are the key properties of ethyl (2E,4E)-7-phenylhepta-2,4-dienoate?
ethyl (2E,4E)-7-phenylhepta-2,4-dienoate has a molecular weight of 230.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-7-phenylhepta-2,4-dienoate is sourced from PubChem (CID 20628704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).