Basic information
- CAS
130523-88-5- Standard SMILES
Cc1ccc(C23OCC(C(C)(C)C)(CO2)CO3)cc1- InChIKey
XVSBQQRCSNYVBW-UHFFFAOYSA-N- Molecular formula
- C16H22O3
- Average molar mass
- 262.34 g/mol
- Monoisotopic mass
- 262.15689456
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylphenyl)-
- IUPAC
- 4-tert-butyl-1-(4-methylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-methylphenyl)-130523-88-5DTXSID901566014-TERT-BUTYL-1-(4-METHYLPHENYL)-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
Database identifiers
- CAS
130523-88-5- PubChem CID
- 182995
- DTXSID
DTXSID90156601
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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