Basic information
- CAS
105608-62-6- Standard SMILES
CC1(C)OC(C(C)(C)C)OCc2ccccc21- InChIKey
PUEUMLXCUQAWQG-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 3-tert-Butyl-1,1-dimethyl-1,5-dihydro-3H-2,4-benzodioxepine
- IUPAC
- 3-tert-butyl-5,5-dimethyl-1H-2,4-benzodioxepine
Names & synonyms
105608-62-6DTXSID305449623-tert-Butyl-1,1-dimethyl-1,5-dihydro-3H-2,4-benzodioxepineRefChem:282644DTXCID70495747
Database identifiers
- CAS
105608-62-6- PubChem CID
- 13610499
- DTXSID
DTXSID30544962
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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