Basic information
- Standard SMILES
CC1(C)OCC(Br)(Oc2ccccc2)C(C)(C)O1- InChIKey
ACLMPNSMVHAUDD-UHFFFAOYSA-N- Molecular formula
- C14H19BrO3
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 314.05176
Names & identifiers
- Preferred name
- Bromophenoxy-methyltrimethyl-1,3-dioxane
- IUPAC
- 5-bromo-2,2,4,4-tetramethyl-5-phenoxy-1,3-dioxane
Names & synonyms
SCHEMBL13935146ACLMPNSMVHAUDD-UHFFFAOYSA-Nbromophenoxy-methyltrimethyl-1,3-dioxane
Database identifiers
- PubChem CID
- 71029096
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
3 records
Compound notes
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