Basic information
- CAS
5401-00-3- Standard SMILES
CC(C)CC(C)OC(=O)CC(CC(=O)OC(C)CC(C)C)C(=O)OC(C)CC(C)C- InChIKey
XBNWCMUBZMWBGY-UHFFFAOYSA-N- Molecular formula
- C24H44O6
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.31378912
Names & identifiers
- Preferred name
- Tris(4-methylpentan-2-yl) propane-1,2,3-tricarboxylate
- IUPAC
- tris(4-methylpentan-2-yl) propane-1,2,3-tricarboxylate
Names & synonyms
tris(4-methylpentan-2-yl) propane-1,2,3-tricarboxylate5401-00-3NSC2419AR-1L7760DTXSID50277462NSC-24191,3-PROPANETRICARBOXYLIC ACID, TRIS(1,3-DIMETHYLBUTYL) ESTER
Database identifiers
- CAS
5401-00-3- PubChem CID
- 220125
- DTXSID
DTXSID50277462
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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