Basic information
- CAS
16016-41-4- Standard SMILES
CC(C)CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCC(C)C- InChIKey
VOBHVQRBBHSZAZ-VXGBXAGGSA-N- Molecular formula
- C14H26O6
- Average molar mass
- 290.35 g/mol
- Monoisotopic mass
- 290.17293854
Names & identifiers
- Preferred name
- Diisopentyl tartrate
- IUPAC
- bis(3-methylbutyl) (2R,3R)-2,3-dihydroxybutanedioate
- English name
- diisopentyl tartrate
- Molecular formula
- C14H26O6
- Molecular weight
- 290.35
Names & synonyms
16016-41-4bis(3-methylbutyl) (2R,3R)-2,3-dihydroxybutanedioateDiisopentyl tartrateEINECS 240-155-3DTXSID80936232VOBHVQRBBHSZAZ-VXGBXAGGSA-Nbis(3-methylbutyl) 2,3-dihydroxybutanedioateButanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, bis(3-methylbutyl) esterButanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-bis(3-methylbutyl) esterButanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, bis(3-methylbutyl) este r
Database identifiers
- CAS
16016-41-4- PubChem CID
- 85240
- DTXSID
DTXSID80936232- EC Number
- 240-155-3
- Nikkaji
- J219.939D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 363.2 · 363.2±9.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 11.42 · 11.42±0.20(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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