Basic information
- Standard SMILES
C=C1C(=O)OC2C=C(C)C(O)CC=C(C)CCC12- InChIKey
XQVSREKNQZKAKU-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
9-Hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one has been reported in Handelia trichophylla, Artemisia, and Artemisia absinthium with data available.
Names & identifiers
- Preferred name
- 9-Hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
- IUPAC
- 9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
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
- 431
Experimental & physicochemical properties
LogP1.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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