chempirical

(+)-Solketal

C6H12O3CAS 22323-82-6132.16 g/mol

Open in Covalent MOL file
OOHO
AcetalAlcoholEther

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
Boiling point
77–78 °C (at 9.98 Torr)
logP
0.13Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
22323-82-6
SMILES
CC1(C)OC[C@H](CO)O1
InChIKey
RNVYQYLELCKWAN-YFKPBYRVSA-N
InChI
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

27 names · show all
  • 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (4S)-
  • 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, L-
  • 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (S)-
  • (4S)-2,2-Dimethyl-1,3-dioxolane-4-methanol
  • L-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
  • 1,2-Isopropylidene-sn-glycerol
  • (2S)-Glycerol 1,2-acetonide
  • 2,3-O-Isopropylidene-D-glycerol
  • 1,2-O-Isopropylidene-sn-glycerol
  • (S)-(+)-1,2-Isopropylideneglycerol
  • (S)-Solketal
  • (S)-2,2-Dimethyl-1,3-dioxolane-4-methanol
  • (+)-α,β-Isopropylideneglycerol
  • (S)-Isopropylideneglycerol
  • (4S)-2,2-Dimethyl-1,3-dioxolan-4-ylmethanol
  • 1,2-O-Isopropylidene-(S)-glycerol
  • (+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
  • (S)-1,2-Isopropylideneglycerol
  • (S)-1,2-O-Isopropylideneglycerol
  • (+)-1,2-O-Isopropylidene-sn-glycerol
  • (+)-Glycerol acetonide
  • (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
  • (S)-(+)-(2,2-Dimethyl-[1,3]dioxolan-4-yl)methanol
  • ((4S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methanol
  • (S)-(+)-2,2-Dimethyl-1,3-dioxolan-4-methanol
  • [(S)-2,2-Dimethyl-[1,3]dioxolan-4-yl]methanol
  • (S)-2,2-Dimethyl-1,3-dioxolan-4-methanol

Work with (+)-Solketal

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

(R)-Solketal14347-78-5100 % similar [2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-558 % similar 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-756 % similar (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol50622-09-850 % similar (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol73346-74-450 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-348 % similar 1,1-Dimethylethyl 2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonate124655-09-041 % similar Menthone glycerin acetal63187-91-741 % similar

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

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 L-Leucic acid13748-90-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook