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Molecule
Diisopropyl (-)-Tartrate
CAS: 62961-64-2 · C10H18O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 62961-64-2
- Molecular Formula
- C10H18O6
- Molecular Mass
- 234.25 g/mol
Identifiers
CAS Registry Number
62961-64-2
SMILES
CC(C)OC(=O)[C@@H](O)[C@H](O)C(=O)OC(C)C
InChI Key
XEBCWEDRGPSHQH-YUMQZZPRSA-N
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
Names and Synonyms
- Diisopropyl (-)-Tartrate Common Name
- Butanedioic acid, 2,3-dihydroxy-, 1,4-bis(1-methylethyl) ester, (2S,3S)- Synonym
- Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]- Synonym
- Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, (2S,3S)- Synonym
- Diisopropyl D-tartrate Synonym
- D-(-)-Diisopropyl tartrate Synonym
- Diisopropyl D-(-)-tartrate Synonym
- Diisopropyl (-)-tartrate Synonym
- Diisopropyl (-)-D-tartrate Synonym
- D-(-)-Tartaric acid diisopropyl ester Synonym
- (-)-DIPT Synonym
- Diisopropyl (S,S)-tartrate Synonym
- (2S,3S)-Diisopropyl tartrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.25 g/mol | CAS Common Chemistry |
| 234.248 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 |
| 93.06 Ų | RDKit | |
| LogP | -0.3886000000000003 | RDKit |
| -0.3886 | RDKit | |
| Molar Refractivity | 54.469600000000035 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 234.110338296 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 234.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O6.
