Basic information
- CAS
31105-79-0- Standard SMILES
C=C1CCC2C(=C)C(=O)OC2/C=C(\C)CCC1OO- InChIKey
IXRHWRRLTANMPL-CMDGGOBGSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Names & identifiers
- Preferred name
- (10E)-7-hydroperoxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
- IUPAC
- (10E)-7-hydroperoxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Names & synonyms
PEROXYCOSTUNOLIDE31105-79-0(3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-oneNSC293103NSC-293103
Database identifiers
- CAS
31105-79-0- PubChem CID
- 5358982
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…