[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate

C14H16O3 — CID 15312626

IUPAC[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
SMILESCCC/C=C\COC(=O)C(=O)c1ccccc1
InChIInChI=1S/C14H16O3/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4-
InChIKeyAGDWCTHETIVOPR-YWEYNIOJSA-N
MW232.28 g/mol
LogP2.77
Rot. Bonds6

About [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate

[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate (PubChem CID 15312626) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
PubChem CID15312626
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
SMILESCCC/C=C\COC(=O)C(=O)c1ccccc1
InChIInChI=1S/C14H16O3/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4-
InChIKeyAGDWCTHETIVOPR-YWEYNIOJSA-N
XLogP2.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-phenylacetate
CID 15349
bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate
CID 10600292
[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
3,7-dimethylocta-2,6-dienyl 2-oxo-2-phenylacetate
CID 140658272
[(Z)-hex-2-enyl] 4-fluorobenzoate
CID 30979309
3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate
CID 71201170
[(2S)-2-methylbutyl] 2-oxo-2-phenylacetate
CID 156598358
2-[(E)-hex-2-enoxy]benzoic acid
CID 15321685
octa-2,4-dienyl 2-phenylacetate
CID 175317654
bis[(Z)-hex-2-enyl] (E)-but-2-enedioate
CID 24805711
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
[(E)-5-phenylmethoxypent-2-enyl] 2-oxobutanoate
CID 23649615

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate?
The IUPAC name of [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate (CID 15312626) is [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate.
What is the SMILES notation for [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate?
The canonical SMILES for [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate is CCC/C=C\COC(=O)C(=O)c1ccccc1.
What is the InChIKey of [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate?
The InChIKey is AGDWCTHETIVOPR-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-3-4-8-11-17-14(16)13(15)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4-.
What are the key properties of [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate?
[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate has a molecular weight of 232.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-2-enyl] 2-oxo-2-phenylacetate is sourced from PubChem (CID 15312626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).