Hydroxypivaldehyde

C₅H₁₀O₂CAS 597-31-9102.13 g/mol

Open in Covalent MOL file

Alcohol Aldehyde

Properties

Molecular formula: C₅H₁₀O₂
Molar mass: 102.13 g/mol
Exact mass: 102.0681 Da
Melting point: 30–33 °C
Boiling point: 78–85 °C (at 4 Torr)
logP: 0.20Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

597-31-9

SMILES

CC(C)(C=O)CO

InChIKey

JJMOMMLADQPZNY-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

Propanal, 3-hydroxy-2,2-dimethyl-
Hydracrylaldehyde, 2,2-dimethyl-
3-Hydroxy-2,2-dimethylpropanal
Pentaaldol
2,2-Dimethyl-3-hydroxypropanal
α,α-Dimethyl-β-hydroxypropionaldehyde
2,2-Dimethyl-3-hydroxypropionaldehyde
Hydroxypivalaldehyde
2-(Hydroxymethyl)-2-methylpropanal
3-Hydroxy-2,2-dimethylpropionaldehyde
3-Hydroxypivalaldehyde
Pentaldol
2-(Hydroxymethyl)isobutyraldehyde

Work with Hydroxypivaldehyde

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2-Dimethyl-4-pentenal5497-67-646 % similar Trimethylolethane77-85-038 % similar Neopentyl glycol126-30-736 % similar Pivaldehyde630-19-336 % similar 2-Methyl-1,2-propanediol558-43-033 % similar 2-Amino-2-methyl-1,3-propanediol115-69-532 % similar Aminomethyl propanol124-68-532 % similar 2,2-Difluoro-1-propanol33420-52-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0

Elsewhere

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