4,7-Ethanoisobenzofuran-1,3-dione, 6-(acetyloxy)-3a,4,7,7a-tetrahydro-4,8,8-dimethyl-
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Basic information
- CAS
29339-48-8- Standard SMILES
CC(=O)OC1=CC2(C)CC(C)(C)C1C1C(=O)OC(=O)C12- InChIKey
FGTMXNIVFUNAGU-UHFFFAOYSA-N- Molecular formula
- C15H18O5
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.11542367
Names & identifiers
- Preferred name
- 4,7-Ethanoisobenzofuran-1,3-dione, 6-(acetyloxy)-3a,4,7,7a-tetrahydro-4,8,8-dimethyl-
- IUPAC
- (1,11,11-trimethyl-3,5-dioxo-4-oxatricyclo[5.2.2.02,6]undec-8-en-8-yl) acetate
- English name
- 6-Acetyloxy-3a,4,7,7a-tetrahydro-4,8,8-trimethyl-4,7-ethanoisobenzofuran-1,3-dione
- Molecular weight
- 278.3
Names & synonyms
FGTMXNIVFUNAGU-UHFFFAOYSA-N4,7-Ethanoisobenzofuran-1,3-dione, 6-(acetyloxy)-3a,4,7,7a-tetrahydro-4,8,8-dimethyl-6-Acetyloxy-3a,4,7,7a-tetrahydro-4,8,8-trimethyl-4,7-ethanoisobenzofuran-1,3-dione
Database identifiers
- CAS
29339-48-8- PubChem CID
- 539313
- Nikkaji
- J114.542H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Boiling point
- 421.42 · 421.420±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.271 · 1.271±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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