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

C19H18O2 — CID 88604505

IUPACethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate
SMILESCCOC(=O)/C(=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-2-21-19(20)18(17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-15H,2H2,1H3/b12-9+,18-15+
InChIKeyHTKSUAQATQPOCB-FPIZNTTDSA-N
MW278.35 g/mol
LogP4.35
Rot. Bonds5

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

ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate (PubChem CID 88604505) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate
PubChem CID88604505
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Nameethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate
SMILESCCOC(=O)/C(=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-2-21-19(20)18(17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-15H,2H2,1H3/b12-9+,18-15+
InChIKeyHTKSUAQATQPOCB-FPIZNTTDSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate (CID 88604505) is ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate is CCOC(=O)/C(=C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate?
The InChIKey is HTKSUAQATQPOCB-FPIZNTTDSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-21-19(20)18(17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-15H,2H2,1H3/b12-9+,18-15+.
What are the key properties of ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate?
ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate has a molecular weight of 278.35 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-2,5-diphenylpenta-2,4-dienoate is sourced from PubChem (CID 88604505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).