Basic information
- CAS
51079-40-4- Standard SMILES
CC(=CCBr)CCC=C(C)CC(C)C- InChIKey
PTXBNQOKMQYOCJ-UHFFFAOYSA-N- Molecular formula
- C13H23Br
- Average molar mass
- 259.23 g/mol
- Monoisotopic mass
- 258.09831
Names & identifiers
- Preferred name
- 1-Bromo-3,7,9-trimethyldeca-2,6-diene
- IUPAC
- 1-bromo-3,7,9-trimethyldeca-2,6-diene
Names & synonyms
1-BROMO-3,7,9-TRIMETHYLDECA-2,6-DIENE51079-40-4SCHEMBL5049030DTXSID00709763PTXBNQOKMQYOCJ-UHFFFAOYSA-N1-bromo-3,7,9-trimethyl-2,6-decadiene
Database identifiers
- CAS
51079-40-4- PubChem CID
- 54207992
- DTXSID
DTXSID00709763
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
5 records
Compound notes
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