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Diisopropyl (-)-Tartrate
CAS: 62961-64-2 | C10H18O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62961-64-2
Molecular Formula:
C10H18O6
Molecular Mass:
234.25 g/mol
Names and Synonyms:
Diisopropyl (-)-Tartrate
Butanedioic acid, 2,3-dihydroxy-, 1,4-bis(1-methylethyl) ester, (2S,3S)-
Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]-
Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, (2S,3S)-
Diisopropyl D-tartrate
D-(-)-Diisopropyl tartrate
Diisopropyl D-(-)-tartrate
Diisopropyl (-)-tartrate
Diisopropyl (-)-D-tartrate
D-(-)-Tartaric acid diisopropyl ester
(-)-DIPT
Diisopropyl (S,S)-tartrate
(2S,3S)-Diisopropyl tartrate
Identifiers:
SMILES:
CC(C)OC(=O)[C@@H](O)[C@H](O)C(=O)OC(C)C
InChI:
InChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m0/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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.25 g/mol | CAS Common Chemistry |
| 234.248 g/mol | RDKit | |
| 234.110338296 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)C)C(O)C(O)C(=O)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XEBCWEDRGPSHQH-YUMQZZPRSA-N | CAS Common Chemistry |
| Name | Diisopropyl (-)-tartrate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.06000000000002 Ų | RDKit |
| LogP | -0.3886000000000003 | RDKit |
| Molar Refractivity | 54.469600000000035 | RDKit |
