1,2,4-Tris(2-ethylhexyl) 1,2,4-butanetricarboxylate
Basic information
- CAS
10043-16-0- Standard SMILES
CCCCC(CC)COC(=O)CCC(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC- InChIKey
YXXMAWRLAMHBIX-UHFFFAOYSA-N- Molecular formula
- C31H58O6
- Average molar mass
- 526.8 g/mol
- Monoisotopic mass
- 526.42333957
Names & identifiers
- Preferred name
- 1,2,4-Tris(2-ethylhexyl) 1,2,4-butanetricarboxylate
- IUPAC
- tris(2-ethylhexyl) butane-1,2,4-tricarboxylate
Names & synonyms
10043-16-0RefChem:10520871,2,4-Tris(2-ethylhexyl) 1,2,4-butanetricarboxylate1,2,4-Butanetricarboxylic acid, tri(2-ethylhexyl) esterBRN 18956711,2,4-BUTANETRICARBOXYLIC ACID, TRIS(2-ETHYLHEXYL) ESTERtris(2-ethylhexyl) butane-1,2,4-tricarboxylateDTXSID50905490
Database identifiers
- CAS
10043-16-0- PubChem CID
- 24852
- DTXSID
DTXSID50905490- Nikkaji
- J35.099K
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 27
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 590
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Compound notes
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