Basic information
- CAS
55303-97-4- Standard SMILES
C=C1CC(O)C(Br)C(C)(C)C12CCC(C)=C(Cl)C2- InChIKey
HZKGRCIKQBHSNA-UHFFFAOYSA-N- Molecular formula
- C15H22BrClO
- Average molar mass
- 333.69 g/mol
- Monoisotopic mass
- 332.05426
Overview
2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-ol has been reported in Laurencia majuscula and Laurencia dendroidea with data available.
Names & identifiers
- Preferred name
- 2-Bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-ol
- IUPAC
- 4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
Names & synonyms
2-bromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-olDTXSID50970628ELATOL B704730F519NSC341593NSC-341593
Database identifiers
- CAS
55303-97-4- PubChem CID
- 100141
- DTXSID
DTXSID50970628
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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