Basic information
- CAS
33880-92-1- Standard SMILES
C=C1C=CC2(Br)OC3CC(C)(Cl)C(Br)CC13C2(C)C- InChIKey
SCVKJKKRVLDQHS-UHFFFAOYSA-N- Molecular formula
- C15H19Br2ClO
- Average molar mass
- 410.57 g/mol
- Monoisotopic mass
- 407.94912
Names & identifiers
- Preferred name
- Pacifidiene
- IUPAC
- 3,8-dibromo-4-chloro-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-9-ene
Names & synonyms
NSC62992733880-92-1PacifidieneCHEMBL1971874DTXSID20955467dibromo-chloro-trimethyl-methylene-[?]NSC-629927NCI60_0097402,7-Dibromo-8-chloro-8,10,10-trimethyl-5-methylidene-2,5,7,8,9,9a-hexahydro-6H-2,5a-methano-1-benzoxepine6H-2,5a-Methano-1-benzoxepin, 2,7-dibromo-8-chloro-2,5,7,8,9,9a-hexahydro-8,10,10-trimethyl-5-methylene-
Database identifiers
- CAS
33880-92-1- PubChem CID
- 182147
- DTXSID
DTXSID20955467- ChEMBL
CHEMBL1971874
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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