3-(Dodec-1-en-1-yl)-2-methylquinolin-4(1h)-one
Basic information
- CAS
51366-16-6- Standard SMILES
CCCCCCCCCC/C=C/c1c(C)[nH]c2ccccc2c1=O- InChIKey
NYSUEMTXPNTMPW-NTCAYCPXSA-N- Molecular formula
- C22H31NO
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.24056461
Names & identifiers
- Preferred name
- 3-(Dodec-1-en-1-yl)-2-methylquinolin-4(1h)-one
- IUPAC
- 3-[(E)-dodec-1-enyl]-2-methyl-1H-quinolin-4-one
Names & synonyms
3-(dodec-1-en-1-yl)-2-methylquinolin-4(1h)-one51366-16-6NSC154838NSC-154838
Database identifiers
- CAS
51366-16-6- PubChem CID
- 5949166
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
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