3-Propyl-1-adamantanol
Basic information
- CAS
15598-88-6- Standard SMILES
CCCC12CC3CC(CC(O)(C3)C1)C2- InChIKey
DASJOTIHKLXABK-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 3-Propyl-1-adamantanol
- IUPAC
- 3-propyladamantan-1-ol
Names & synonyms
3-propyladamantan-1-ol3-Propyl-1-adamantanol15598-88-63-Propyltricyclo[3.3.1.13,7]decan-1-ol3-n-Propyl-adamantol-13-Propyl-1-adamantanol #Oprea1_716188SCHEMBL6904455DASJOTIHKLXABK-UHFFFAOYSA-NDTXSID601284134AG-690/03007008
Database identifiers
- CAS
15598-88-6- PubChem CID
- 591983
- DTXSID
DTXSID601284134
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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