3,3,6,6-Tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane
Basic information
- CAS
7463-17-4- Standard SMILES
CC1(C)OC2(c3ccccc3)OC1(c1ccccc1)OC2(C)C- InChIKey
OAXCZVFPZDWDIU-UHFFFAOYSA-N- Molecular formula
- C20H22O3
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.15689456
Names & identifiers
- Preferred name
- 3,3,6,6-Tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane
- IUPAC
- 3,3,6,6-tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane
Names & synonyms
7463-17-43,3,6,6-tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptaneNSC402146SCHEMBL10645705DTXSID10322841NSC-402146
Database identifiers
- CAS
7463-17-4- PubChem CID
- 344964
- DTXSID
DTXSID10322841- Nikkaji
- J1.365.382H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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