Basic information
- CAS
5333-55-1- Standard SMILES
CCC(CC)COC(=O)CC(CC(=O)OCC(CC)CC)C(=O)OCC(CC)CC- InChIKey
LOJCVBYPRKBWPG-UHFFFAOYSA-N- Molecular formula
- C24H44O6
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.31378912
Names & identifiers
- Preferred name
- Tris(2-ethylbutyl) propane-1,2,3-tricarboxylate
- IUPAC
- tris(2-ethylbutyl) propane-1,2,3-tricarboxylate
Names & synonyms
5333-55-1tris(2-ethylbutyl) propane-1,2,3-tricarboxylateNSC2420DTXSID10277463NSC-24201,3-PROPANETRICARBOXYLIC ACID, TRIS(2-ETHYLBUTYL) ESTER
Database identifiers
- CAS
5333-55-1- PubChem CID
- 220126
- DTXSID
DTXSID10277463
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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