carbanide;ethyl 2-phenylacetate;yttrium

C11H14O2Y-2 — CID 58367999

IUPACcarbanide;ethyl 2-phenylacetate;yttrium
SMILESCCOC(=O)Cc1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C10H11O2.CH3.Y/c1-2-12-10(11)8-9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H3;/q2*-1;
InChIKeyWFNHEZKPIAFFEK-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.04
Rot. Bonds3

About carbanide;ethyl 2-phenylacetate;yttrium

carbanide;ethyl 2-phenylacetate;yttrium (PubChem CID 58367999) has the molecular formula C11H14O2Y-2 and a molecular weight of 267.14 g/mol. Its IUPAC name is carbanide;ethyl 2-phenylacetate;yttrium.

Molecular Properties

Compound Namecarbanide;ethyl 2-phenylacetate;yttrium
PubChem CID58367999
Molecular FormulaC11H14O2Y-2
Molecular Weight267.14 g/mol
Exact Mass267.01
IUPAC Namecarbanide;ethyl 2-phenylacetate;yttrium
SMILESCCOC(=O)Cc1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C10H11O2.CH3.Y/c1-2-12-10(11)8-9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H3;/q2*-1;
InChIKeyWFNHEZKPIAFFEK-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.04
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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methyl (4E)-5-methylhepta-4,6-dienoate
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6-Methyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyran-2-one
CID 71383805
ethyl (E)-3-methylpent-3-enoate
CID 13180874
Ethyl cyclohexa-2,4-diene-1-carboxylate
CID 22445354
Ethyl (3e)-3-methyl-3-heptenoate
CID 89107551
Ethyl 2-[4-(fluoromethylidene)cyclohexa-1,5-dien-1-yl]acetate
CID 54372500
Ethyl 2-[4-(fluoromethylidene)cyclohexa-2,5-dien-1-yl]acetate
CID 67783464
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;ethyl 2-phenylacetate;yttrium?
The IUPAC name of carbanide;ethyl 2-phenylacetate;yttrium (CID 58367999) is carbanide;ethyl 2-phenylacetate;yttrium.
What is the SMILES notation for carbanide;ethyl 2-phenylacetate;yttrium?
The canonical SMILES for carbanide;ethyl 2-phenylacetate;yttrium is CCOC(=O)Cc1cc[c-]cc1.[CH3-].[Y].
What is the InChIKey of carbanide;ethyl 2-phenylacetate;yttrium?
The InChIKey is WFNHEZKPIAFFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2.CH3.Y/c1-2-12-10(11)8-9-6-4-3-5-7-9;;/h4-7H,2,8H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;ethyl 2-phenylacetate;yttrium?
carbanide;ethyl 2-phenylacetate;yttrium has a molecular weight of 267.14 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethyl 2-phenylacetate;yttrium is sourced from PubChem (CID 58367999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).