2-Pyrrolidinone, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
Basic information
- CAS
110261-31-9- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCC1=O- InChIKey
BFLJGULWRXVLSC-YAUBYZHOSA-N- Molecular formula
- C19H31NO
- Average molar mass
- 289.5 g/mol
- Monoisotopic mass
- 289.24056461
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
- IUPAC
- 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one
Names & synonyms
2-Pyrrolidinone, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-110261-31-9SCHEMBL10706181
Database identifiers
- CAS
110261-31-9- PubChem CID
- 6442887
- Nikkaji
- J1.792.759K、J325.993E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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