Basic information
- CAS
56630-53-6- Standard SMILES
CC(C)CCCCCCCCCCCCCC(=O)N1CCCC1- InChIKey
CRSXWNLJWBQJDW-UHFFFAOYSA-N- Molecular formula
- C21H41NO
- Average molar mass
- 323.6 g/mol
- Monoisotopic mass
- 323.31881493
Names & identifiers
- Preferred name
- 1-(15-Methylhexadecanoyl)pyrrolidine
- IUPAC
- 15-methyl-1-pyrrolidin-1-ylhexadecan-1-one
- English name
- 1-(15-Methylpalmitoyl)pyrrolidine
- Molecular formula
- C21H41NO
- Molecular weight
- 323.56
Names & synonyms
1-(15-Methylhexadecanoyl)pyrrolidine56630-53-6DTXSID20341644RefChem:222618DTXCID40292725Pyrrolidine, 1-(15-methyl-1-oxohexadecyl)-15-methyl-1-(pyrrolidin-1-yl)hexadecan-1-oneCRSXWNLJWBQJDW-UHFFFAOYSA-N1-(15-Methylhexadecanoyl)pyrrolidine #DB-23821515-Methyl-1-(1-pyrrolidinyl)-1-hexadecanone1-(15-Methylpalmitoyl)pyrrolidine
Show more names
1-Hexadecanone, 15-methyl-1-(1-pyrrolidinyl)-
Database identifiers
- CAS
56630-53-6- PubChem CID
- 574646
- DTXSID
DTXSID20341644- Nikkaji
- J108.642A
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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