Basic information
- CAS
68140-46-5- Standard SMILES
CCCCCCCCCCC=CC(CC(=O)OCCCCCCCCCCCCC)C(=O)O- InChIKey
GLFSIVIXYLULGR-UHFFFAOYSA-N- Molecular formula
- C29H54O4
- Average molar mass
- 466.7 g/mol
- Monoisotopic mass
- 466.4022102
Names & identifiers
- Preferred name
- 4-Tridecyl 2-(1-dodecen-1-yl)butanedioate
- IUPAC
- 2-(2-oxo-2-tridecoxyethyl)tetradec-3-enoic acid
Names & synonyms
68140-46-5RefChem:2966444-Tridecyl 2-(1-dodecen-1-yl)butanedioateButanedioic acid, 2-(1-dodecen-1-yl)-, 4-tridecyl esterButanedioic acid, 1-dodecenyl-, 4-tridecyl esterDTXSID50887202GLFSIVIXYLULGR-UHFFFAOYSA-NNS000615552-[2-oxo-2-(tridecyloxy)ethyl]tetradec-3-enoic acid
Database identifiers
- CAS
68140-46-5- PubChem CID
- 109166
- DTXSID
DTXSID50887202- EC Number
- 268-798-5
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 472
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2-(1-dodecen-1-yl)-, 4-tridecyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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