2,2-dimethylpropanoic acid

C15H30O6 — CID 87781698

IUPAC2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O
InChIInChI=1S/3C5H10O2/c3*1-5(2,3)4(6)7/h3*1-3H3,(H,6,7)
InChIKeyWTAZMZWFSGHZNQ-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.35
Rot. Bonds

About 2,2-dimethylpropanoic acid

2,2-dimethylpropanoic acid (PubChem CID 87781698) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name2,2-dimethylpropanoic acid
PubChem CID87781698
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O
InChIInChI=1S/3C5H10O2/c3*1-5(2,3)4(6)7/h3*1-3H3,(H,6,7)
InChIKeyWTAZMZWFSGHZNQ-UHFFFAOYSA-N
XLogP3.35
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid
CID 162191705
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid;methane
CID 159044795
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid
CID 175317557
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2-bromo-2-methylpropanoic acid
CID 159388254
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
2,2-dimethylpropanedioic acid;silver
CID 174269885

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoic acid?
The IUPAC name of 2,2-dimethylpropanoic acid (CID 87781698) is 2,2-dimethylpropanoic acid.
What is the SMILES notation for 2,2-dimethylpropanoic acid?
The canonical SMILES for 2,2-dimethylpropanoic acid is CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethylpropanoic acid?
The InChIKey is WTAZMZWFSGHZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H10O2/c3*1-5(2,3)4(6)7/h3*1-3H3,(H,6,7).
What are the key properties of 2,2-dimethylpropanoic acid?
2,2-dimethylpropanoic acid has a molecular weight of 306.40 g/mol, XLogP of 3.35, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoic acid is sourced from PubChem (CID 87781698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).