(7-Hydroperoxy-4-methyl-8,12-dimethylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-10-yl) acetate
Basic information
- CAS
61228-73-7- Standard SMILES
C=C1CC(OC(C)=O)C2C(=C)C(=O)OC2C2OC2(C)CCC1OO- InChIKey
IHYLMNWQQGXGJT-UHFFFAOYSA-N- Molecular formula
- C17H22O7
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13655304
Names & identifiers
- Preferred name
- (7-Hydroperoxy-4-methyl-8,12-dimethylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-10-yl) acetate
- IUPAC
- (7-hydroperoxy-4-methyl-8,12-dimethylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-10-yl) acetate
Database identifiers
- CAS
61228-73-7- PubChem CID
- 3488092
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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