carbanide;2-oxopropyl 2-phenylacetate;yttrium

C12H14O3Y-2 — CID 58368011

IUPACcarbanide;2-oxopropyl 2-phenylacetate;yttrium
SMILESCC(=O)COC(=O)Cc1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C11H11O3.CH3.Y/c1-9(12)8-14-11(13)7-10-5-3-2-4-6-10;;/h3-6H,7-8H2,1H3;1H3;/q2*-1;
InChIKeyXGYSCYDOGFVJHZ-UHFFFAOYSA-N
MW295.15 g/mol
LogP1.61
Rot. Bonds4

About carbanide;2-oxopropyl 2-phenylacetate;yttrium

carbanide;2-oxopropyl 2-phenylacetate;yttrium (PubChem CID 58368011) has the molecular formula C12H14O3Y-2 and a molecular weight of 295.15 g/mol. Its IUPAC name is carbanide;2-oxopropyl 2-phenylacetate;yttrium.

Molecular Properties

Compound Namecarbanide;2-oxopropyl 2-phenylacetate;yttrium
PubChem CID58368011
Molecular FormulaC12H14O3Y-2
Molecular Weight295.15 g/mol
Exact Mass295.00
IUPAC Namecarbanide;2-oxopropyl 2-phenylacetate;yttrium
SMILESCC(=O)COC(=O)Cc1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C11H11O3.CH3.Y/c1-9(12)8-14-11(13)7-10-5-3-2-4-6-10;;/h3-6H,7-8H2,1H3;1H3;/q2*-1;
InChIKeyXGYSCYDOGFVJHZ-UHFFFAOYSA-N
XLogP1.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 5-methyl-2-oxohex-4-enoate
CID 18370322
Ethyl 2-oxo-3-vinyl-3-pentenoate
CID 129766994
Methyl 2-oxo-3-vinyl-3-pentenoate
CID 129767062
Lithium phenylmethyl 2-oxobutanoate
CID 134860183
ethyl (E)-2-oxohex-4-enoate
CID 18370140
Propyl 2-oxohex-4-enoate
CID 57016743
Ethyl 2-oxohex-4-enoate
CID 57059101
2-Oxopropyl hex-4-enoate
CID 57067250
Ethyl 2-oxo-2-phenylacetate;yttrium
CID 58155247
Carbanide;(2-oxo-2-phenylethyl) propanoate;yttrium
CID 58367994
Carbanide;ethyl 2-phenylacetate;yttrium
CID 58367999
Carbanide;methyl 2-phenylacetate;yttrium
CID 58955994

Frequently Asked Questions

What is the IUPAC name of carbanide;2-oxopropyl 2-phenylacetate;yttrium?
The IUPAC name of carbanide;2-oxopropyl 2-phenylacetate;yttrium (CID 58368011) is carbanide;2-oxopropyl 2-phenylacetate;yttrium.
What is the SMILES notation for carbanide;2-oxopropyl 2-phenylacetate;yttrium?
The canonical SMILES for carbanide;2-oxopropyl 2-phenylacetate;yttrium is CC(=O)COC(=O)Cc1cc[c-]cc1.[CH3-].[Y].
What is the InChIKey of carbanide;2-oxopropyl 2-phenylacetate;yttrium?
The InChIKey is XGYSCYDOGFVJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O3.CH3.Y/c1-9(12)8-14-11(13)7-10-5-3-2-4-6-10;;/h3-6H,7-8H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;2-oxopropyl 2-phenylacetate;yttrium?
carbanide;2-oxopropyl 2-phenylacetate;yttrium has a molecular weight of 295.15 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-oxopropyl 2-phenylacetate;yttrium is sourced from PubChem (CID 58368011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).