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Molecule
(+)-Solketal
CAS: 22323-82-6 · C6H12O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22323-82-6
- Molecular Formula
- C6H12O3
- Molecular Mass
- 132.16 g/mol
Identifiers
CAS Registry Number
22323-82-6
SMILES
CC1(C)OC[C@H](CO)O1
InChI Key
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
Names and Synonyms
- (+)-Solketal Common Name
- 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (4S)- Synonym
- 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, L- Synonym
- 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (S)- Synonym
- (4S)-2,2-Dimethyl-1,3-dioxolane-4-methanol Synonym
- L-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol Synonym
- 1,2-Isopropylidene-sn-glycerol Synonym
- (2S)-Glycerol 1,2-acetonide Synonym
- 2,3-O-Isopropylidene-D-glycerol Synonym
- 1,2-O-Isopropylidene-sn-glycerol Synonym
- (S)-(+)-1,2-Isopropylideneglycerol Synonym
- (S)-Solketal Synonym
- (S)-2,2-Dimethyl-1,3-dioxolane-4-methanol Synonym
- (+)-Solketal Synonym
- (+)-α,β-Isopropylideneglycerol Synonym
- (S)-Isopropylideneglycerol Synonym
- (4S)-2,2-Dimethyl-1,3-dioxolan-4-ylmethanol Synonym
- 1,2-O-Isopropylidene-(S)-glycerol Synonym
- (+)-2,2-Dimethyl-1,3-dioxolane-4-methanol Synonym
- (S)-1,2-Isopropylideneglycerol Synonym
- (S)-1,2-O-Isopropylideneglycerol Synonym
- (+)-1,2-O-Isopropylidene-sn-glycerol Synonym
- (+)-Glycerol acetonide Synonym
- (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol Synonym
- (S)-(+)-(2,2-Dimethyl-[1,3]dioxolan-4-yl)methanol Synonym
- ((4S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methanol Synonym
- (S)-(+)-2,2-Dimethyl-1,3-dioxolan-4-methanol Synonym
- [(S)-2,2-Dimethyl-[1,3]dioxolan-4-yl]methanol Synonym
- (S)-2,2-Dimethyl-1,3-dioxolan-4-methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.159 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OC1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RNVYQYLELCKWAN-YFKPBYRVSA-N | CAS Common Chemistry |
| Name | (+)-Solketal | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 0.13020000000000004 | RDKit |
| 0.1302 | RDKit | |
| Molar Refractivity | 31.98979999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 132.078644244 g/mol | RDKit |
| Boiling Point | 77-78 °C @ 9.98 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 132.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O3.
