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(R)-Solketal
CAS: 14347-78-5 | C6H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14347-78-5
Molecular Formula:
C6H12O3
Molecular Weight:
132.159 g/mol
Names and Synonyms:
(R)-Solketal
(R)-1,2-O-Isopropylideneglycerol
1,3-Dioxolane-4-methanol 2,2-dimethyl-, (4R)-
(R)-(-)-2,2-Dimethyl-1,3-dioxolane-4-methanol
(R)-Isopropylideneglycerol
((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)methanol
(R)-(2,2-Dimethyl[1,3]dioxolan-4-yl)methanol
(R)-(-)-2,2-Dimethyl-1,3-dioxolan-4-methanol
(R)-2,2-Dimethyl-1,3-dioxolan-4-methanol
(-)-2,2-Dimethyl-1,3-dioxolane-4-methanol
2,2-Dimethyl-(4R)-1,3-dioxolane-4-methanol
((4R)-2,2-Dimethyl-1,3-dioxolan-4-yl)methanol
((4R)-2,2-Dimethyl-1,3-dioxolan-4-yl)methanol
(R)-(-)-(2,2-Dimethyl-1,3-dioxolan-4-yl)methanol
(R)-(-)-2,2-Dimethyl-1,3-dioxolane-4-methanol
(R)-2,3-O-Isopropylideneglycerol
(R)-Solketal
(-)-α,β-Isopropylideneglycerol
(R)-2,3-Isopropylideneglycerol
(R)-1,2-Isopropylideneglycerol
2,3-Isopropylidene-L-glycerol
(-)-Solketal
(R)-2,2-Dimethyl-1,3-dioxolane-4-methanol
2,3-Isopropylidene-sn-glycerol
(R)-Glycerol acetonide
2,3-O-Isopropylidene-sn-glycerol
(2R)-Glycerol 1,2-acetonide
D-2,2-Dimethyl-1,3-dioxolane-4-methanol
(4R)-2,2-Dimethyl-1,3-dioxolane-4-methanol
1,3-Dioxolane-4-methanol, 2,2-dimethyl-, D-
1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (R)-
1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (4R)-
Identifiers:
SMILES:
CC1(C)OC[C@@H](CO)O1
InChI:
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 132.16 g/mol | Legacy Database |
| cas-boiling-point | 80.5-80.8 °C @ Press: 11 Torr None | Legacy Database |
| cas-canonical-smile | OCC1OC(OC1)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=RNVYQYLELCKWAN-RXMQYKEDSA-N None | Legacy Database |
| cas-name | (R)-Solketal None | Legacy Database |
| LogP | 0.13020000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.159 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.078644244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.98979999999998 | RDKit |
