Dodecyl 5-oxo-DL-prolinate
Basic information
- CAS
75444-31-4- Standard SMILES
CCCCCCCCCCCCOC(=O)C1CCC(=O)N1- InChIKey
HJXPPCPJEYUQFQ-UHFFFAOYSA-N- Molecular formula
- C17H31NO3
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.23039385
Names & identifiers
- Preferred name
- Dodecyl 5-oxo-DL-prolinate
- IUPAC
- dodecyl 5-oxopyrrolidine-2-carboxylate
Names & synonyms
Dodecyl 5-oxo-DL-prolinate75444-31-4dodecyl 5-oxopyrrolidine-2-carboxylateSCHEMBL130784pyroglutamic acid n-dodecyl esterHJXPPCPJEYUQFQ-UHFFFAOYSA-Ndodecyl-2-pyrrolidone-5-carboxylate
Database identifiers
- CAS
75444-31-4- PubChem CID
- 90841
- EC Number
- 278-210-9
- Nikkaji
- J438.141F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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