Basic information
- CAS
2249835-03-6- Standard SMILES
C=C(C)COC(=O)/C=C/C(=O)OCCCCCCCCCCCC- InChIKey
INUYCXCLVSAUTJ-CCEZHUSRSA-N- Molecular formula
- C20H34O4
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.24570956
Names & identifiers
- Preferred name
- Fumaric acid, dodecyl 2-methylallyl ester
- IUPAC
- 1-O-dodecyl 4-O-(2-methylprop-2-enyl) (E)-but-2-enedioate
Names & synonyms
Fumaric acid, dodecyl 2-methylallyl esterINUYCXCLVSAUTJ-CCEZHUSRSA-NDTXSID8010166362249835-03-6Dodecyl 2-methylprop-2-en-1-yl (2E)-but-2-enedioate
Database identifiers
- CAS
2249835-03-6- PubChem CID
- 22404444
- DTXSID
DTXSID801016636
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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