Basic information
- CAS
24429-25-2- Standard SMILES
CC(CCOC(=O)C=CC(=O)O)CC(C)(C)C- InChIKey
NJAFJJJFZZALPC-UHFFFAOYSA-N- Molecular formula
- C13H22O4
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.15180918
Names & identifiers
- Preferred name
- 3,5,5-Trimethylhexyl hydrogen maleate
- IUPAC
- 4-oxo-4-(3,5,5-trimethylhexoxy)but-2-enoic acid
Names & synonyms
24429-25-23,5,5-Trimethylhexyl hydrogen maleateEINECS 246-244-34-oxo-4-[(3,5,5-trimethylhexyl)oxy]but-2-enoic acidDTXSID20947302NJAFJJJFZZALPC-UHFFFAOYSA-N
Database identifiers
- CAS
24429-25-2- PubChem CID
- 91180
- DTXSID
DTXSID20947302- EC Number
- 246-244-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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