Basic information
- CAS
79889-26-2- Standard SMILES
CC1(C)CCCC(c2ccccc2)OO1- InChIKey
VFRMLDMTZIDVOB-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 3,3-Dimethyl-7-phenyl-1,2-dioxepane
- IUPAC
- 3,3-dimethyl-7-phenyldioxepane
Names & synonyms
3,3-Dimethyl-7-phenyl-1,2-dioxepane79889-26-2DTXSID00507862RefChem:270392DTXCID60458669
Database identifiers
- CAS
79889-26-2- PubChem CID
- 12716601
- DTXSID
DTXSID00507862
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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