2-(Bromomethyl)-2-methyl-1,3-dioxane
Basic information
- CAS
78426-22-9- Standard SMILES
CC1(CBr)OCCCO1- InChIKey
AMEHKWRKEOYGHZ-UHFFFAOYSA-N- Molecular formula
- C6H11BrO2
- Average molar mass
- 195.05 g/mol
- Monoisotopic mass
- 193.99424
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-2-methyl-1,3-dioxane
- IUPAC
- 2-(bromomethyl)-2-methyl-1,3-dioxane
Names & synonyms
2-(bromomethyl)-2-methyl-1,3-dioxane78426-22-9DTXSID10307592RefChem:253328DTXCID30258719NSC193316SCHEMBL287693842-methyl-2-bromomethyl-1,3-dioxaneNSC-193316
Database identifiers
- CAS
78426-22-9- PubChem CID
- 303684
- DTXSID
DTXSID10307592- Nikkaji
- J1.054.871C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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