(4S)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

C6H10O3CAS 22323-80-4130.14 g/mol

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OOO
AcetalAldehydeEther

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
Boiling point
42–44 °C (at 13 Torr)
logP
0.34Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
22323-80-4
SMILES
CC1(C)OC[C@@H](C=O)O1
InChIKey
YSGPYVWACGYQDJ-RXMQYKEDSA-N
InChI
InChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3/t5-/m1/s1

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Names and synonyms

15 names · show all
  • (4S)-2,2-Dimethyl-1,3-dioxolan-4-carboxaldehyde
  • 1,3-Dioxolane-4-carboxaldehyde, 2,2-dimethyl-, (4S)-
  • 1,3-Dioxolane-4-carboxaldehyde, 2,2-dimethyl-, L-
  • 1,3-Dioxolane-4-carboxaldehyde, 2,2-dimethyl-, (S)-
  • 2,3-O-Isopropylidene-L-glyceraldehyde
  • L-Glyceraldehyde acetonide
  • (S)-Glyceraldehyde acetonide
  • (S)-2,3-O-Isopropylideneglyceraldehyde
  • (S)-Isopropylideneglyceraldehyde
  • (S)-Glyceraldehyde isopropylidene acetal
  • (S)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde
  • (S)-2,3-(Isopropylidenedioxy)propionaldehyde
  • (S)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde
  • 1,3-Dioxolane-4-carboxaldehyde 2,2-dimethyl-, (4S)-
  • (4S)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde

Reactions

Work with (4S)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde15186-48-8Enantiomer

Similar compounds

(R)-1,4-Dioxaspiro[4,5]decane-2-carboxaldehyde78008-36-350 % similar tert-Butyl (4R-cis)-6-formaldehydel-2,2-dimethyl-1,3-dioxane-4-acetate124752-23-444 % similar Solketal100-79-842 % similar (R)-Solketal14347-78-542 % similar (+)-Solketal22323-82-642 % similar 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-742 % similar (R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane57044-24-342 % similar (4S)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane60456-22-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl 2-[(2S)-oxiran-2-yl]acetate112083-63-3 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

Elsewhere

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