Basic information
- CAS
71277-22-0- Standard SMILES
C=C1CCC2C(=C)C(=O)OC2C2OC2(C)CCC1OC(C)=O- InChIKey
NJRUPSAKHHQVRY-UHFFFAOYSA-N- Molecular formula
- C17H22O5
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1467238
Names & identifiers
- Preferred name
- (4-Methyl-8,12-dimethylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-7-yl) acetate
- IUPAC
- (4-methyl-8,12-dimethylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-7-yl) acetate
Names & synonyms
NSC29311171277-22-0DTXSID40315206NSC-293111YM-1-311a-Methyl-5,8-dimethylidene-9-oxododecahydrooxireno[9,10]cyclodeca[1,2-b]furan-4-yl acetate
Database identifiers
- CAS
71277-22-0- PubChem CID
- 325151
- DTXSID
DTXSID40315206
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…