Triethyl pentane-1,3,4-tricarboxylate
Basic information
- CAS
7252-77-9- Standard SMILES
CCOC(=O)CCC(C(=O)OCC)C(C)C(=O)OCC- InChIKey
BRKHUIZBJQMMQJ-UHFFFAOYSA-N- Molecular formula
- C14H24O6
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.15728848
Names & identifiers
- Preferred name
- Triethyl pentane-1,3,4-tricarboxylate
- IUPAC
- triethyl 1-methylbutane-1,2,4-tricarboxylate
Names & synonyms
triethyl pentane-1,3,4-tricarboxylate7252-77-9DTXSID10291144RefChem:386117DTXCID90242290NSC73486TRIETHYL 1,3,4-PENTANETRICARBOXYLATENSC-73486AKOS024332432
Database identifiers
- CAS
7252-77-9- PubChem CID
- 252153
- DTXSID
DTXSID10291144
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
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Related reactions
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Compound notes
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