9-Ethylbicyclo(3.3.1)nonan-9-ol
Basic information
- CAS
21915-33-3- Standard SMILES
CCC1(O)C2CCCC1CCC2- InChIKey
COQRKPRIDRDOOG-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 9-Ethylbicyclo(3.3.1)nonan-9-ol
- IUPAC
- 9-ethylbicyclo[3.3.1]nonan-9-ol
- English name
- 9-ethylbicyclo[3.3.1]nonan-9-ol
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
9-ethylbicyclo[3.3.1]nonan-9-ol21915-33-39-Ethylbicyclo(3.3.1)nonan-9-olEINECS 244-658-9DTXSID60176331NSC 146241Bicyclo[3.3.1]nonan-9-ol, 9-ethyl-Bicyclo(3.3.1)nonan-9-ol, 9-ethyl-RefChem:107889DTXCID7098822244-658-9COQRKPRIDRDOOG-UHFFFAOYSA-N
Show more names
NSC146241SCHEMBL8391529-ethylbicyclo[3.3.1]nona-9-olAKOS006275703AKOS024325543NSC-146241NS000269979-ETHYL-BICYCLO(3.3.1)NONAN-9-OL
Database identifiers
- CAS
21915-33-3- PubChem CID
- 89551
- DTXSID
DTXSID60176331- EC Number
- 244-658-9
- Nikkaji
- J225.481F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 80 · 80-85 °C(Press: 0.01 Torr)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- pka
- 14.99 · 14.99±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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