(12S)-9-methyl-12-phenylmethoxy-10,11,13-trioxatricyclo[7.2.2.01,6]tridecane
Basic information
- Standard SMILES
CC12CCC3CCCCC3(OO1)[C@@H](OCc1ccccc1)O2- InChIKey
YPXQJHNIWNKEAX-SGJHSXLPSA-N- Molecular formula
- C18H24O4
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.16745924
Names & identifiers
- Preferred name
- (12S)-9-methyl-12-phenylmethoxy-10,11,13-trioxatricyclo[7.2.2.01,6]tridecane
- IUPAC
- (12S)-9-methyl-12-phenylmethoxy-10,11,13-trioxatricyclo[7.2.2.01,6]tridecane
Names & synonyms
NSC638476NSC-638476
Database identifiers
- PubChem CID
- 368133
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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