carbanide;2,2-dimethylbutanoic acid;yttrium

C7H15O2Y- — CID 58937622

IUPACcarbanide;2,2-dimethylbutanoic acid;yttrium
SMILESCCC(C)(C)C(=O)O.[CH3-].[Y]
InChIInChI=1S/C6H12O2.CH3.Y/c1-4-6(2,3)5(7)8;;/h4H2,1-3H3,(H,7,8);1H3;/q;-1;
InChIKeyOBWPCIVDRSLRIH-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.95
Rot. Bonds2

About carbanide;2,2-dimethylbutanoic acid;yttrium

carbanide;2,2-dimethylbutanoic acid;yttrium (PubChem CID 58937622) has the molecular formula C7H15O2Y- and a molecular weight of 220.10 g/mol. Its IUPAC name is carbanide;2,2-dimethylbutanoic acid;yttrium.

Molecular Properties

Compound Namecarbanide;2,2-dimethylbutanoic acid;yttrium
PubChem CID58937622
Molecular FormulaC7H15O2Y-
Molecular Weight220.10 g/mol
Exact Mass220.01
IUPAC Namecarbanide;2,2-dimethylbutanoic acid;yttrium
SMILESCCC(C)(C)C(=O)O.[CH3-].[Y]
InChIInChI=1S/C6H12O2.CH3.Y/c1-4-6(2,3)5(7)8;;/h4H2,1-3H3,(H,7,8);1H3;/q;-1;
InChIKeyOBWPCIVDRSLRIH-UHFFFAOYSA-N
XLogP1.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761
2,2-dimethylbutanoic acid;methane
CID 159782886
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylbutanoic acid
CID 175452511
2,2-dimethylbutanoic acid;ethane;2-methyl-2-methylpropane;propanoic acid
CID 159487668
3,3,5,5-tetramethylheptan-4-one
CID 18520351
4-hydroxy-2,2,4-trimethylhexanoic acid
CID 114495175
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
CID 79623675
4-amino-2,2,4-trimethylhexanoic acid
CID 89085708
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 79624482
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-triacontamethylnonapentacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosacarboxylic acid
CID 177116159
1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid
CID 88566200

Frequently Asked Questions

What is the IUPAC name of carbanide;2,2-dimethylbutanoic acid;yttrium?
The IUPAC name of carbanide;2,2-dimethylbutanoic acid;yttrium (CID 58937622) is carbanide;2,2-dimethylbutanoic acid;yttrium.
What is the SMILES notation for carbanide;2,2-dimethylbutanoic acid;yttrium?
The canonical SMILES for carbanide;2,2-dimethylbutanoic acid;yttrium is CCC(C)(C)C(=O)O.[CH3-].[Y].
What is the InChIKey of carbanide;2,2-dimethylbutanoic acid;yttrium?
The InChIKey is OBWPCIVDRSLRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.CH3.Y/c1-4-6(2,3)5(7)8;;/h4H2,1-3H3,(H,7,8);1H3;/q;-1;.
What are the key properties of carbanide;2,2-dimethylbutanoic acid;yttrium?
carbanide;2,2-dimethylbutanoic acid;yttrium has a molecular weight of 220.10 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,2-dimethylbutanoic acid;yttrium is sourced from PubChem (CID 58937622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).