Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C7H12O4CAS 60456-21-5160.17 g/mol

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AcetalEsterEther

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
logP
0.31Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
60456-21-5
SMILES
COC(=O)[C@@H]1COC(C)(C)O1
InChIKey
DOWWCCDWPKGNGX-YFKPBYRVSA-N
InChI
InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, methyl ester, (4S)-
  • 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, methyl ester, (S)-
  • 4(S)-Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
  • Methyl (S)-glycerate acetonide
  • Methyl (S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
  • (S)-2,2-Dimethyl-[1,3]dioxolane-4-carboxylic acid methyl ester
  • 2,2-Dimethyl-(4S)-1,3-dioxolane-4-carboxylic acid methyl ester
  • Methyl α,β-isopropylidene-L-glycerate
  • Methyl (S)-2,2-dimethyl-1,3-dioxalane-4-carboxylate
  • Methyl isopropylidene-L-glycerate

Work with Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

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.

2,3-O-Isopropylidene-D-glyceric acid methyl ester52373-72-5Enantiomer

Similar compounds

Methyl (2R)-2-oxiranecarboxylate111058-32-361 % similar 4,5-Dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate37031-29-155 % similar 4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate37031-30-455 % similar Methyl cyclopentanecarboxylate4630-80-244 % similar Cyclobutanecarboxylic acid methyl ester765-85-544 % similar Methyl isobutyrate547-63-743 % similar Methyl tetrahydro-2-furancarboxylate37443-42-843 % similar O-tert-Butyl-L-serine methyl ester hydrochloride17114-97-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 Dimethyl (R)-(+)-methylsuccinate22644-27-5 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8

Elsewhere

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