carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium

C11H15OY- — CID 159397931

IUPACcarbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
SMILESCC(=O)c1c(C)cccc1C.[CH3-].[Y]
InChIInChI=1S/C10H12O.CH3.Y/c1-7-5-4-6-8(2)10(7)9(3)11;;/h4-6H,1-3H3;1H3;/q;-1;
InChIKeyADQYNKFNIBIYKO-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.95
Rot. Bonds1

About carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium

carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium (PubChem CID 159397931) has the molecular formula C11H15OY- and a molecular weight of 252.15 g/mol. Its IUPAC name is carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium.

Molecular Properties

Compound Namecarbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
PubChem CID159397931
Molecular FormulaC11H15OY-
Molecular Weight252.15 g/mol
Exact Mass252.02
IUPAC Namecarbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
SMILESCC(=O)c1c(C)cccc1C.[CH3-].[Y]
InChIInChI=1S/C10H12O.CH3.Y/c1-7-5-4-6-8(2)10(7)9(3)11;;/h4-6H,1-3H3;1H3;/q;-1;
InChIKeyADQYNKFNIBIYKO-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-3-methylbenzoic acid
CID 23423450
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
1-[2-methyl-6-(methylaminomethyl)phenyl]ethanone
CID 166977883
2,6-dimethylbenzoyl iodide
CID 87941795
2,6-dimethylbenzoyl fluoride
CID 23235034
2,6-dimethylbenzenecarbothioic S-acid
CID 91881639
1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum
CID 173480397
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
1-(2-fluoro-3,6-dimethylphenyl)ethanone
CID 84765074
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium?
The IUPAC name of carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium (CID 159397931) is carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium.
What is the SMILES notation for carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium?
The canonical SMILES for carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium is CC(=O)c1c(C)cccc1C.[CH3-].[Y].
What is the InChIKey of carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium?
The InChIKey is ADQYNKFNIBIYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.CH3.Y/c1-7-5-4-6-8(2)10(7)9(3)11;;/h4-6H,1-3H3;1H3;/q;-1;.
What are the key properties of carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium?
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium has a molecular weight of 252.15 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium is sourced from PubChem (CID 159397931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).