Basic information
- CAS
5400-99-7- Standard SMILES
CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC- InChIKey
QSCYQUYIUCNAEV-UHFFFAOYSA-N- Molecular formula
- C30H56O6
- Average molar mass
- 512.8 g/mol
- Monoisotopic mass
- 512.4076895
Names & identifiers
- Preferred name
- Tris(2-ethylhexyl) propane-1,2,3-tricarboxylate
- IUPAC
- tris(2-ethylhexyl) propane-1,2,3-tricarboxylate
Names & synonyms
tris(2-ethylhexyl) propane-1,2,3-tricarboxylate5400-99-7DTXSID30277460RefChem:386613DTXCID70228618NSC2417NSC-2417propane-1,2,3-tricarboxylic acid tris-(2-ethylhexyl) ester1,3-PROPANETRICARBOXYLIC ACID, TRIS(2-ETHYLHEXYL) ESTER
Database identifiers
- CAS
5400-99-7- PubChem CID
- 220123
- DTXSID
DTXSID30277460- Nikkaji
- J191.559B
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 26
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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