ethyl 5,5-diphenylpenta-2,3,4-trienoate

C19H16O2 — CID 25260452

IUPACethyl 5,5-diphenylpenta-2,3,4-trienoate
SMILESCCOC(=O)C=C=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O2/c1-2-21-19(20)15-9-14-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,15H,2H2,1H3
InChIKeyZNMAWUPYVPXRSE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.99
Rot. Bonds4

About ethyl 5,5-diphenylpenta-2,3,4-trienoate

ethyl 5,5-diphenylpenta-2,3,4-trienoate (PubChem CID 25260452) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 5,5-diphenylpenta-2,3,4-trienoate.

Molecular Properties

Compound Nameethyl 5,5-diphenylpenta-2,3,4-trienoate
PubChem CID25260452
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Nameethyl 5,5-diphenylpenta-2,3,4-trienoate
SMILESCCOC(=O)C=C=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O2/c1-2-21-19(20)15-9-14-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,15H,2H2,1H3
InChIKeyZNMAWUPYVPXRSE-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5,5-bis(4-chlorophenyl)penta-2,3,4-trienoate
CID 25260453
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl 5-hydroxy-5-phenylpenta-2,3-dienoate
CID 102192904
ethyl 4-phenylhepta-2,3,6-trienoate
CID 11847387
ethyl 6-phenylhexa-2,3-dienoate
CID 122224690
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl 6-phenylhexa-2,3,5-trienoate
CID 54037447
diethyl (2E,6E,10E)-4,9-bis[(E)-3-ethoxy-3-oxoprop-1-enyl]-5,8-diphenyldodeca-2,4,6,8,10-pentaenedioate
CID 138972057
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-diphenylpenta-2,3,4-trienoate?
The IUPAC name of ethyl 5,5-diphenylpenta-2,3,4-trienoate (CID 25260452) is ethyl 5,5-diphenylpenta-2,3,4-trienoate.
What is the SMILES notation for ethyl 5,5-diphenylpenta-2,3,4-trienoate?
The canonical SMILES for ethyl 5,5-diphenylpenta-2,3,4-trienoate is CCOC(=O)C=C=C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 5,5-diphenylpenta-2,3,4-trienoate?
The InChIKey is ZNMAWUPYVPXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-2-21-19(20)15-9-14-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,15H,2H2,1H3.
What are the key properties of ethyl 5,5-diphenylpenta-2,3,4-trienoate?
ethyl 5,5-diphenylpenta-2,3,4-trienoate has a molecular weight of 276.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-diphenylpenta-2,3,4-trienoate is sourced from PubChem (CID 25260452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).