chempirical

(+)-Pantolactone

C6H10O3CAS 5405-40-3130.14 g/mol

Open in Covalent MOL file
OOOH
AlcoholEsterLactone

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
Melting point
86.6–90 °C
logP
-0.07Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
5405-40-3
SMILES
CC1(C)COC(=O)[C@H]1O
InChIKey
SERHXTVXHNVDKA-SCSAIBSYSA-N
InChI
InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (3S)-
  • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, L-(+)-
  • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (S)-
  • (3S)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone
  • L-(+)-α-Hydroxy-β,β-dimethyl-γ-butyrolactone
  • L-Pantoyl lactone
  • L-Pantolactone
  • L-(+)-Pantoyl lactone
  • L-(+)-Pantolactone
  • (S)-Pantolactone
  • (+)-Pantoyl lactone
  • (+)-2-Hydroxy-3,3-dimethyl-γ-butyrolactone
  • (S)-(+)-Pantolactone
  • (3S)-3-Hydroxy-4,4-dimethyloxolan-2-one

Work with (+)-Pantolactone

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl (2S)-2-oxiraneacetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0 Ethyl 2-oxobutanoate15933-07-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook