Basic information
- Standard SMILES
C=CC(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2- InChIKey
RYMXEYMVZASVTF-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- 1,3,5-Trihydroxy-7-acryloyloxyadamantane
- IUPAC
- (3,5,7-trihydroxy-1-adamantyl) prop-2-enoate
Names & synonyms
SCHEMBL685925RYMXEYMVZASVTF-UHFFFAOYSA-N1,3,5-trihydroxy-7-acryloyloxyadamantane
Database identifiers
- PubChem CID
- 21996790
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
1 records
Compound notes
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