ethyl 2-oxo-2-phenylacetate;yttrium

C10H9O3Y- — CID 58155247

IUPACethyl 2-oxo-2-phenylacetate;yttrium
SMILESCCOC(=O)C(=O)c1c[c-]ccc1.[Y]
InChIInChI=1S/C10H9O3.Y/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-4,6-7H,2H2,1H3;/q-1;
InChIKeyQRGJLQHSNBMBPL-UHFFFAOYSA-N
MW266.08 g/mol
LogP1.23
Rot. Bonds3

About ethyl 2-oxo-2-phenylacetate;yttrium

ethyl 2-oxo-2-phenylacetate;yttrium (PubChem CID 58155247) has the molecular formula C10H9O3Y- and a molecular weight of 266.08 g/mol. Its IUPAC name is ethyl 2-oxo-2-phenylacetate;yttrium.

Molecular Properties

Compound Nameethyl 2-oxo-2-phenylacetate;yttrium
PubChem CID58155247
Molecular FormulaC10H9O3Y-
Molecular Weight266.08 g/mol
Exact Mass265.96
IUPAC Nameethyl 2-oxo-2-phenylacetate;yttrium
SMILESCCOC(=O)C(=O)c1c[c-]ccc1.[Y]
InChIInChI=1S/C10H9O3.Y/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-4,6-7H,2H2,1H3;/q-1;
InChIKeyQRGJLQHSNBMBPL-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-4-(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)but-3-enoate
CID 12109745
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Ethyl 2-oxo-3-vinyl-3-pentenoate
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Methyl 2-oxo-3-vinyl-3-pentenoate
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Methyl 2-[3-(bromomethylidene)cyclohexa-1,5-dien-1-yl]-2-oxoacetate
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Carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium
CID 58367994
Carbanide;2-oxopropyl 2-phenylacetate;yttrium
CID 58368011
(6-Oxocyclohexa-1,3-dien-1-yl) butanoate
CID 69116675
Methyl 3-methyl-2-oxohept-3-enoate
CID 86165826
methyl (E)-2-oxo-3-[(Z)-prop-1-enyl]hex-3-enoate
CID 88888532
ethyl (3E)-2-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienoate
CID 89839907
Methyl 2-cyclohexa-1,4-dien-1-yl-2-oxoacetate
CID 90698018

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-phenylacetate;yttrium?
The IUPAC name of ethyl 2-oxo-2-phenylacetate;yttrium (CID 58155247) is ethyl 2-oxo-2-phenylacetate;yttrium.
What is the SMILES notation for ethyl 2-oxo-2-phenylacetate;yttrium?
The canonical SMILES for ethyl 2-oxo-2-phenylacetate;yttrium is CCOC(=O)C(=O)c1c[c-]ccc1.[Y].
What is the InChIKey of ethyl 2-oxo-2-phenylacetate;yttrium?
The InChIKey is QRGJLQHSNBMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O3.Y/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-4,6-7H,2H2,1H3;/q-1;.
What are the key properties of ethyl 2-oxo-2-phenylacetate;yttrium?
ethyl 2-oxo-2-phenylacetate;yttrium has a molecular weight of 266.08 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-phenylacetate;yttrium is sourced from PubChem (CID 58155247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).