Isobutyl (R)-2-hydroxypropionate

C7H14O3CAS 61597-96-4146.19 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C7H14O3
Molar mass
146.19 g/mol
Exact mass
146.0943 Da
logP
0.57Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 341 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
61597-96-4
SMILES
CC(C)COC(=O)[C@@H](C)O
InChIKey
WBPAQKQBUKYCJS-ZCFIWIBFSA-N
InChI
InChI=1S/C7H14O3/c1-5(2)4-10-7(9)6(3)8/h5-6,8H,4H2,1-3H3/t6-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • Propanoic acid, 2-hydroxy-, 2-methylpropyl ester, (2R)-
  • Propanoic acid, 2-hydroxy-, 2-methylpropyl ester, (R)-
  • (R)-(+)-Isobutyl lactate
  • Isobutyl (R)-lactate
  • (R)-Lactic acid isobutyl ester
  • (R)-(+)-Lactic acid isobutyl ester
  • D-Isobutyl lactate
  • (+)-Isobutyl lactate
  • (+)-Isobutyl D-lactate
  • 2-Methylpropyl (2R)-2-hydroxypropanoate
  • 2-Methylpropyl-(R)-2-hydroxypropanoate

Work with Isobutyl (R)-2-hydroxypropionate

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

Isoamyl lactate19329-89-667 % similar Propyl (2S)-2-hydroxypropanoate53651-69-763 % similar Propyl lactate616-09-163 % similar Ethyl lactate687-47-862 % similar Ethyl lactate97-64-362 % similar Isobutyl isobutyrate97-85-861 % similar Butyl (2S)-2-hydroxypropanoate34451-19-959 % similar Lactic anhydride97-73-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glycidaldehyde diethyl acetal13269-77-7 n-Butyl lactate138-22-7 (3,3-Dimethoxycyclobutyl)methanol175021-11-1 3-(tert-Butoxy)propionic acid21150-73-2 Methyl 3-hydroxyhexanoate21188-58-9 2-(Oxan-2-yloxy)ethan-1-ol2162-31-4 Tetrahydrofurfuryl polyethylene glycol31692-85-0 (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-5

Elsewhere

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