Basic information
- CAS
14078-46-7- Standard SMILES
COC1=CC2(Oc3c(C(C)(C)C)cc(OC)cc32)C(=O)C(C(C)(C)C)=C1- InChIKey
QJKAJPSCURQEJT-UHFFFAOYSA-N- Molecular formula
- C22H28O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.19875937
Names & identifiers
- Preferred name
- 2',5-Ditert-butyl-3,4'-dimethoxyspiro[7-oxabicyclo[4.2.0]octa-1(6),2,4-triene-8,6'-cyclohexa-2,4-diene]-1'-one
- IUPAC
- 2',5-ditert-butyl-3,4'-dimethoxyspiro[7-oxabicyclo[4.2.0]octa-1(6),2,4-triene-8,6'-cyclohexa-2,4-diene]-1'-one
Names & synonyms
NSC31134314078-46-7DTXSID70317117NSC-3113432,3'-Di-tert-butyl-4,5'-dimethoxy-8-oxaspiro[bicyclo[4.2.0]octane-7,1'-cyclohexane]-1,3,3',5,5'-pentaen-2'-one
Database identifiers
- CAS
14078-46-7- PubChem CID
- 329327
- DTXSID
DTXSID70317117
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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