2,2-dimethylbutanedioic acid;hydrochloride

C6H11ClO4 — CID 87625816

IUPAC2,2-dimethylbutanedioic acid;hydrochloride
SMILESCC(C)(CC(=O)O)C(=O)O.Cl
InChIInChI=1S/C6H10O4.ClH/c1-6(2,5(9)10)3-4(7)8;/h3H2,1-2H3,(H,7,8)(H,9,10);1H
InChIKeyVZVAJDTXJFEWHZ-UHFFFAOYSA-N
MW182.60 g/mol
LogP0.99
Rot. Bonds3

About 2,2-dimethylbutanedioic acid;hydrochloride

2,2-dimethylbutanedioic acid;hydrochloride (PubChem CID 87625816) has the molecular formula C6H11ClO4 and a molecular weight of 182.60 g/mol. Its IUPAC name is 2,2-dimethylbutanedioic acid;hydrochloride.

Molecular Properties

Compound Name2,2-dimethylbutanedioic acid;hydrochloride
PubChem CID87625816
Molecular FormulaC6H11ClO4
Molecular Weight182.60 g/mol
Exact Mass182.03
IUPAC Name2,2-dimethylbutanedioic acid;hydrochloride
SMILESCC(C)(CC(=O)O)C(=O)O.Cl
InChIInChI=1S/C6H10O4.ClH/c1-6(2,5(9)10)3-4(7)8;/h3H2,1-2H3,(H,7,8)(H,9,10);1H
InChIKeyVZVAJDTXJFEWHZ-UHFFFAOYSA-N
XLogP0.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-2,2,7,7-tetramethyloct-4-enedioic acid
CID 175504746
bis(3,3-dimethylbutanoic acid);hydrochloride
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3,3-dimethyl-4-oxo-4-sulfanylbutanoic acid
CID 141341505
2,2-dimethyl-4-oxo-4-(trimethyl-λ4-sulfanyl)butanoic acid
CID 123815802
3,3-dimethylbutanoic acid;yttrium
CID 59798482
2,4-dimethylpentane-1,2,3,3,4,5-hexacarboxylic acid
CID 154020768
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
3,3-dichlorobutanoic acid
CID 56997062
(1-carboxy-2-methylpropan-2-yl)azanium
CID 59614741
2,2-dimethylbutanoic acid;methane
CID 159782886
CID 174276018
CID 174276018
4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 106840413

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanedioic acid;hydrochloride?
The IUPAC name of 2,2-dimethylbutanedioic acid;hydrochloride (CID 87625816) is 2,2-dimethylbutanedioic acid;hydrochloride.
What is the SMILES notation for 2,2-dimethylbutanedioic acid;hydrochloride?
The canonical SMILES for 2,2-dimethylbutanedioic acid;hydrochloride is CC(C)(CC(=O)O)C(=O)O.Cl.
What is the InChIKey of 2,2-dimethylbutanedioic acid;hydrochloride?
The InChIKey is VZVAJDTXJFEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.ClH/c1-6(2,5(9)10)3-4(7)8;/h3H2,1-2H3,(H,7,8)(H,9,10);1H.
What are the key properties of 2,2-dimethylbutanedioic acid;hydrochloride?
2,2-dimethylbutanedioic acid;hydrochloride has a molecular weight of 182.60 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanedioic acid;hydrochloride is sourced from PubChem (CID 87625816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).