t-Butylquinone oxide
Basic information
- CAS
10476-73-0- Standard SMILES
CC(C)(C)C1=CC(=O)C2OC2C1=O- InChIKey
ZMTGGXREUMKXBC-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- t-Butylquinone oxide
- IUPAC
- 3-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Names & synonyms
t-Butylquinone oxide10476-73-07-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-tert-butyl-3-tert-butyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dionetert-Butylquinone oxideNIOSH/RN8843000DTXSID50909175AKOS006273437RN884300003-(1,1-Dimethylethyl)-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-(1,1-dimethylethyl)-
Database identifiers
- CAS
10476-73-0- PubChem CID
- 24840751
- DTXSID
DTXSID50909175- Nikkaji
- J519.288I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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