(+)-Solketal

C₆H₁₂O₃CAS 22323-82-6132.16 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H227 Combustible liquid16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

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

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)-Solketal14347-78-5Enantiomer Solketal100-79-8Stereo not defined

Similar compounds

(4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-563 % similar 4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane5754-34-763 % similar (2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-558 % similar 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-756 % similar (R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane57044-24-356 % similar (4S)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane60456-22-656 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 Glyceryl allyl ether123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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