3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
Basic information
- CAS
5175-72-4- Standard SMILES
COC1=C(C(C)(C)C)C(=O)C(=O)C(C(C)(C)C)=C1OC- InChIKey
GGIIPXBCNQBUMK-UHFFFAOYSA-N- Molecular formula
- C16H24O4
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.16745924
Names & identifiers
- Preferred name
- 3,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
- IUPAC
- 3,6-ditert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione
Names & synonyms
5175-72-43,6-Di-tert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dioneDTXSID70416715RefChem:272277DTXCID003675643,6-ditert-butyl-4,5-dimethoxycyclohexa-3,5-diene-1,2-dione3,6-di-tert-butyl-4,5-dimethoxybenzo-1,2-quinoneCBMicro_013259SCHEMBL5588847SMSF0004134CB03173BIM-0013172.P001
Show more names
3,6-di-t-butyl-4,5-dimethoxy-o-benzoquinone3,6-di-tert-butyl-4,5-dimethoxy-o-benzoquinone
Database identifiers
- CAS
5175-72-4- PubChem CID
- 5337745
- DTXSID
DTXSID70416715- Nikkaji
- J1.818.917H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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