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Basic information
- Standard SMILES
C=C(C)[C@@]1(O)[C@H](OC)[C@H](OC)CO[C@]12CO2- InChIKey
PBVVEVYIMRLZHS-CHWFTXMASA-N- Molecular formula
- C11H18O5
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.11542367
Names & identifiers
- Preferred name
- (3R,6R,7R,8R)-8-Isopropenyl-6,7-dimethoxy-1,4-dioxaspiro[2,5]octan-8-ol
- IUPAC
- (3R,4R,5R,6R)-5,6-dimethoxy-4-prop-1-en-2-yl-1,8-dioxaspiro[2.5]octan-4-ol
Names & synonyms
CHEMBL322884SCHEMBL8829008PBVVEVYIMRLZHS-CHWFTXMASA-N(3R,6R,7R,8R)-8-Isopropenyl-6,7-dimethoxy-1,4-dioxaspiro[2,5]octan-8-ol
Database identifiers
- PubChem CID
- 22869080
- ChEMBL
CHEMBL322884
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 305
Related reactions
1 records
Compound notes
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