(10E)-10-methyl-3,6-dimethylidene-7-methylperoxy-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Basic information
- CAS
71277-19-5- Standard SMILES
C=C1CCC2C(=C)C(=O)OC2/C=C(\C)CCC1OOC- InChIKey
AKIXXFOBHNUCNV-MDZDMXLPSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- (10E)-10-methyl-3,6-dimethylidene-7-methylperoxy-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
- IUPAC
- (10E)-10-methyl-3,6-dimethylidene-7-methylperoxy-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Names & synonyms
NSC29310471277-19-5DTXSID70418537NSC-293104YM-1-32(10E)-10-Methyl-3,6-dimethylidene-7-(methylperoxy)-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2(3H)-one
Database identifiers
- CAS
71277-19-5- PubChem CID
- 5358983
- DTXSID
DTXSID70418537
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…