carbanide;methyl 2-phenylacetate;yttrium

C10H12O2Y-2 — CID 58955994

IUPACcarbanide;methyl 2-phenylacetate;yttrium
SMILESCOC(=O)Cc1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C9H9O2.CH3.Y/c1-11-9(10)7-8-5-3-2-4-6-8;;/h3-6H,7H2,1H3;1H3;/q2*-1;
InChIKeyZGTSDCXRWWYBFG-UHFFFAOYSA-N
MW253.11 g/mol
LogP1.65
Rot. Bonds2

About carbanide;methyl 2-phenylacetate;yttrium

carbanide;methyl 2-phenylacetate;yttrium (PubChem CID 58955994) has the molecular formula C10H12O2Y-2 and a molecular weight of 253.11 g/mol. Its IUPAC name is carbanide;methyl 2-phenylacetate;yttrium.

Molecular Properties

Compound Namecarbanide;methyl 2-phenylacetate;yttrium
PubChem CID58955994
Molecular FormulaC10H12O2Y-2
Molecular Weight253.11 g/mol
Exact Mass252.99
IUPAC Namecarbanide;methyl 2-phenylacetate;yttrium
SMILESCOC(=O)Cc1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C9H9O2.CH3.Y/c1-11-9(10)7-8-5-3-2-4-6-8;;/h3-6H,7H2,1H3;1H3;/q2*-1;
InChIKeyZGTSDCXRWWYBFG-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Carbomethoxymethylcyclopentadiene
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methyl (4E)-5-methylhepta-4,6-dienoate
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6-Methyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyran-2-one
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Ethyl cyclohexa-2,4-diene-1-carboxylate
CID 22445354
Methyl deca-4,6-dienoate
CID 91208535
Ethyl 2-[4-(fluoromethylidene)cyclohexa-1,5-dien-1-yl]acetate
CID 54372500
Methyl 2-(6-fluoro-4-iodocyclohexa-1,5-dien-1-yl)acetate
CID 89279256
methyl (3Z,4Z)-3-ethylidene-6-fluorohepta-4,6-dienoate
CID 89324339
Methyl 2-(3-fluoro-4-methylcyclohexa-1,5-dien-1-yl)acetate
CID 90248693

Frequently Asked Questions

What is the IUPAC name of carbanide;methyl 2-phenylacetate;yttrium?
The IUPAC name of carbanide;methyl 2-phenylacetate;yttrium (CID 58955994) is carbanide;methyl 2-phenylacetate;yttrium.
What is the SMILES notation for carbanide;methyl 2-phenylacetate;yttrium?
The canonical SMILES for carbanide;methyl 2-phenylacetate;yttrium is COC(=O)Cc1cc[c-]cc1.[CH3-].[Y].
What is the InChIKey of carbanide;methyl 2-phenylacetate;yttrium?
The InChIKey is ZGTSDCXRWWYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2.CH3.Y/c1-11-9(10)7-8-5-3-2-4-6-8;;/h3-6H,7H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;methyl 2-phenylacetate;yttrium?
carbanide;methyl 2-phenylacetate;yttrium has a molecular weight of 253.11 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl 2-phenylacetate;yttrium is sourced from PubChem (CID 58955994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).