2H-Azepin-2-one, hexahydro-N-lauroyl-
Basic information
- CAS
5551-77-9- Standard SMILES
CCCCCCCCCCCC(=O)N1CCCCCC1=O- InChIKey
JUPACDULOVPQPZ-UHFFFAOYSA-N- Molecular formula
- C18H33NO2
- Average molar mass
- 295.5 g/mol
- Monoisotopic mass
- 295.2511293
Names & identifiers
- Preferred name
- 2H-Azepin-2-one, hexahydro-N-lauroyl-
- IUPAC
- 1-dodecanoylazepan-2-one
- English name
- Hexahydro-1-(1-oxododecyl)-2H-azepin-2-one
- Molecular formula
- C18H33NO2
- Molecular weight
- 295.46
Names & synonyms
N-Lauroyl caprolactamUSAF ND-732H-AZEPIN-2-ONE, HEXAHYDRO-N-LAUROYL-5551-77-9BRN 1536405DTXSID502040915-21-06-00461 (Beilstein Handbook Reference)RefChem:268439DTXCID501265821-dodecanoylazepan-2-oneSCHEMBL176310JUPACDULOVPQPZ-UHFFFAOYSA-N
Show more names
Hexahydro-1-(1-oxododecyl)-2H-azepin-2-one2H-Azepin-2-one, hexahydro-1-(1-oxododecyl)-
1-n-dodecanoylazacycloheptan-2-one
Database identifiers
- CAS
5551-77-9- PubChem CID
- 21713
- DTXSID
DTXSID50204091- Nikkaji
- J54.670D
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
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Related reactions
4 records
Compound notes
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