(10E)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Basic information
- CAS
64845-92-7- Standard SMILES
C=C1CCC2C(=C)C(=O)OC2/C=C(\C)CCC1O- InChIKey
JNHKVMWTQCZYHK-CMDGGOBGSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- (10E)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
- IUPAC
- (10E)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Names & synonyms
(10E)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-oneSCHEMBL22645251NSC293105NSC-293105YM-1-33
Database identifiers
- CAS
64845-92-7- PubChem CID
- 5358984
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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