carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)

C11H16OY3-2 — CID 160605653

IUPACcarbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
SMILESCC(=O)c1ccccc1C.[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C9H10O.2CH3.3Y/c1-7-5-3-4-6-9(7)8(2)10;;;;;/h3-6H,1-2H3;2*1H3;;;/q;2*-1;;;
InChIKeyOXZIYMBPDPVQDY-UHFFFAOYSA-N
MW430.97 g/mol
LogP3.09
Rot. Bonds1

About carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)

carbanide;1-(2-methylphenyl)ethanone;tris(yttrium) (PubChem CID 160605653) has the molecular formula C11H16OY3-2 and a molecular weight of 430.97 g/mol. Its IUPAC name is carbanide;1-(2-methylphenyl)ethanone;tris(yttrium).

Molecular Properties

Compound Namecarbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
PubChem CID160605653
Molecular FormulaC11H16OY3-2
Molecular Weight430.97 g/mol
Exact Mass430.84
IUPAC Namecarbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
SMILESCC(=O)c1ccccc1C.[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C9H10O.2CH3.3Y/c1-7-5-3-4-6-9(7)8(2)10;;;;;/h3-6H,1-2H3;2*1H3;;;/q;2*-1;;;
InChIKeyOXZIYMBPDPVQDY-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.97
LogP ≤ 53.09
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

ethane;1-(2-methylphenyl)ethanone
CID 91374073
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
2,2,2-trideuterio-1-(2-methylphenyl)ethanone
CID 10486909
1-(2-acetylphenyl)ethanone;methane
CID 158210616
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-methylbenzoic acid;propan-2-one;1,2-xylene
CID 68779004
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)?
The IUPAC name of carbanide;1-(2-methylphenyl)ethanone;tris(yttrium) (CID 160605653) is carbanide;1-(2-methylphenyl)ethanone;tris(yttrium).
What is the SMILES notation for carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)?
The canonical SMILES for carbanide;1-(2-methylphenyl)ethanone;tris(yttrium) is CC(=O)c1ccccc1C.[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)?
The InChIKey is OXZIYMBPDPVQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.2CH3.3Y/c1-7-5-3-4-6-9(7)8(2)10;;;;;/h3-6H,1-2H3;2*1H3;;;/q;2*-1;;;.
What are the key properties of carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)?
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium) has a molecular weight of 430.97 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(2-methylphenyl)ethanone;tris(yttrium) is sourced from PubChem (CID 160605653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).