3,3-dimethylbutanoic acid;yttrium

C6H12O2Y — CID 59798482

IUPAC3,3-dimethylbutanoic acid;yttrium
SMILESCC(C)(C)CC(=O)O.[Y]
InChIInChI=1S/C6H12O2.Y/c1-6(2,3)4-5(7)8;/h4H2,1-3H3,(H,7,8);
InChIKeyLBJXTFZIGGTLBL-UHFFFAOYSA-N
MW205.07 g/mol
LogP1.50
Rot. Bonds1

About 3,3-dimethylbutanoic acid;yttrium

3,3-dimethylbutanoic acid;yttrium (PubChem CID 59798482) has the molecular formula C6H12O2Y and a molecular weight of 205.07 g/mol. Its IUPAC name is 3,3-dimethylbutanoic acid;yttrium.

Molecular Properties

Compound Name3,3-dimethylbutanoic acid;yttrium
PubChem CID59798482
Molecular FormulaC6H12O2Y
Molecular Weight205.07 g/mol
Exact Mass204.99
IUPAC Name3,3-dimethylbutanoic acid;yttrium
SMILESCC(C)(C)CC(=O)O.[Y]
InChIInChI=1S/C6H12O2.Y/c1-6(2,3)4-5(7)8;/h4H2,1-3H3,(H,7,8);
InChIKeyLBJXTFZIGGTLBL-UHFFFAOYSA-N
XLogP1.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
CID 174276018
CID 174276018
manganese;3,3,5,5-tetramethylhexanoic acid
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2,2-dimethylbutanedioic acid;hydrochloride
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3,3-dichlorobutanoic acid
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(1-carboxy-2-methylpropan-2-yl)azanium
CID 59614741
2-[2-(3,3-dimethylbutanoyloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87570353
2,2-dimethylbutane;3,3-dimethylbutanoic acid;4,4-dimethylpentan-2-one;2,2,3-trimethylbutane
CID 160782233
3,3-dimethylbutanoic acid;3-fluoropyridine
CID 171538348
3-tert-butyl-3-hydroxy-4,4-dimethylpentanoic acid
CID 169324245
benzene;3-hydroxy-3-methylbutanoic acid
CID 67584950
3-hydroxy-3-iodobutanoic acid
CID 174497141

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutanoic acid;yttrium?
The IUPAC name of 3,3-dimethylbutanoic acid;yttrium (CID 59798482) is 3,3-dimethylbutanoic acid;yttrium.
What is the SMILES notation for 3,3-dimethylbutanoic acid;yttrium?
The canonical SMILES for 3,3-dimethylbutanoic acid;yttrium is CC(C)(C)CC(=O)O.[Y].
What is the InChIKey of 3,3-dimethylbutanoic acid;yttrium?
The InChIKey is LBJXTFZIGGTLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.Y/c1-6(2,3)4-5(7)8;/h4H2,1-3H3,(H,7,8);.
What are the key properties of 3,3-dimethylbutanoic acid;yttrium?
3,3-dimethylbutanoic acid;yttrium has a molecular weight of 205.07 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutanoic acid;yttrium is sourced from PubChem (CID 59798482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).