Methyl 2-acetyl-5-phenylpent-4-enoate

HCID 70036076

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 85217-77-2
Standard SMILES: COC(=O)C(CC=Cc1ccccc1)C(C)=O
InChIKey: BHHKFTCTPCSRCF-UHFFFAOYSA-N
Molecular formula: C14H16O3
Average molar mass: 232.27 g/mol
Monoisotopic mass: 232.10994437

Names & identifiers

Preferred name: Methyl 2-acetyl-5-phenylpent-4-enoate
IUPAC: methyl 2-acetyl-5-phenylpent-4-enoate

Names & synonyms

Methyl 2-acetyl-5-phenylpent-4-enoate85217-77-2SCHEMBL7254441DTXSID30741636

Database identifiers

CAS: 85217-77-2
PubChem CID: 70036076
DTXSID: DTXSID30741636

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 288

Related reactions

2 records

New reaction record

HRID 305894 reaction equation

HRID 305894As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 701067 reaction equation

HRID 701067As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…