Ketone, 3-adamantyl hydroxymethyl
Basic information
- CAS
33705-31-6- Standard SMILES
O=C(CO)C12CC3CC(CC(C3)C1)C2- InChIKey
DJSXPNOHKQWGIH-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- Ketone, 3-adamantyl hydroxymethyl
- IUPAC
- 1-(1-adamantyl)-2-hydroxyethanone
Names & synonyms
KETONE, 3-ADAMANTYL HYDROXYMETHYL33705-31-6Ethanone, 1-(3-adamantyl)-2-hydroxy-DTXSID60187386Ethanone, 2-hydroxy-1-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, oximeRefChem:350412DTXCID701098771-(1-adamantyl)-2-hydroxyethanoneEthanone, 2-hydroxy-1-tricyclo[3.3.1.13,7]dec-1-yl-1-adamantyl hydroxymethyl ketoneAKOS0202303361-(ADAMANTAN-1-YL)-2-HYDROXYETHAN-1-ONE
Database identifiers
- CAS
33705-31-6- PubChem CID
- 36585
- DTXSID
DTXSID60187386- Nikkaji
- J96.766A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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