3,3-Dimethylbutanoic acid
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.9303 g/mL (at 0 °C)
- Melting point
- 6.5 °C
- Boiling point
- 190 °C
- logP
- 1.51Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
1070-83-3SMILES
CC(C)(C)CC(=O)OInChIKey
MLMQPDHYNJCQAO-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Butanoic acid, 3,3-dimethyl-
- Butyric acid, 3,3-dimethyl-
- Butyric acid, β,β-dimethyl-
- 3,3-Dimethylbutyric acid
- tert-Butylacetic acid
- NSC 4537
Work with 3,3-Dimethylbutanoic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,3-Dimethylglutaric acid4839-46-764 % similar
3-Hydroxy-3-methylglutaric acid503-49-158 % similar
3-Hydroxyisovaleric acid625-08-158 % similar
3-Ethyl-3-methylpentanedioic acid5345-01-754 % similar
2,2-Dimethylsuccinic acid597-43-354 % similar
3,5,5-Trimethylhexanoic acid3302-10-148 % similar
1-(Mercaptomethyl)cyclopropaneacetic acid162515-68-648 % similar
1,1-Cyclopentanediacetic acid16713-66-948 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds