2,2-dimethylbutanedioic acid

C6H10O4 — CID 11701

IUPAC2,2-dimethylbutanedioic acid
SMILESCC(C)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyGOHPTLYPQCTZSE-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.57
Rot. Bonds3

About 2,2-dimethylbutanedioic acid

2,2-dimethylbutanedioic acid (PubChem CID 11701) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,2-dimethylbutanedioic acid.

Molecular Properties

Compound Name2,2-dimethylbutanedioic acid
PubChem CID11701
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,2-dimethylbutanedioic acid
SMILESCC(C)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyGOHPTLYPQCTZSE-UHFFFAOYSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanedioic acid?
The IUPAC name of 2,2-dimethylbutanedioic acid (CID 11701) is 2,2-dimethylbutanedioic acid.
What is the SMILES notation for 2,2-dimethylbutanedioic acid?
The canonical SMILES for 2,2-dimethylbutanedioic acid is CC(C)(CC(=O)O)C(=O)O.
What is the InChIKey of 2,2-dimethylbutanedioic acid?
The InChIKey is GOHPTLYPQCTZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2,2-dimethylbutanedioic acid?
2,2-dimethylbutanedioic acid has a molecular weight of 146.14 g/mol, XLogP of 0.57, 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 is sourced from PubChem (CID 11701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).