Completing data — usually done within a minute
Basic information
- CAS
111728-20-2- Standard SMILES
COC(CC(C)=CC=CBr)OC- InChIKey
KOMGJIPKZHNQCN-UHFFFAOYSA-N- Molecular formula
- C9H15BrO2
- Average molar mass
- 235.12 g/mol
- Monoisotopic mass
- 234.02554
Names & identifiers
- Preferred name
- 1-Bromo-6,6-dimethoxy-4-methylhexa-1,3-diene
- IUPAC
- 1-bromo-6,6-dimethoxy-4-methylhexa-1,3-diene
Names & synonyms
111728-20-21-Bromo-6,6-dimethoxy-4-methylhexa-1,3-dieneSCHEMBL9580672DTXSID80708310KOMGJIPKZHNQCN-UHFFFAOYSA-N6-bromo-3-methyl-1,1-dimethoxy-3,5-hexadiene
Database identifiers
- CAS
111728-20-2- PubChem CID
- 54005359
- DTXSID
DTXSID80708310
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Related reactions
3 records
Compound notes
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