Basic information
- CAS
534-34-9- Standard SMILES
CC1(C)C[C@@]2(C)C[C@@H]1C[C@@H]2O- InChIKey
QNNGNRWQCQDOMF-OYNCUSHFSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
See also: Bicyclo(2.2.1)heptan-2-ol, 1,5,5-trimethyl-, exo- (annotation moved to).
Names & identifiers
- Preferred name
- (1r,2s,4r)-1,5,5-Trimethylbicyclo[2.2.1]heptan-2-ol
- IUPAC
- (1R,2S,4R)-1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol
- English name
- exo-1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
534-34-9(1r,2s,4r)-1,5,5-trimethylbicyclo[2.2.1]heptan-2-olexo-1,5,5-Trimethylbicyclo(2.2.1)heptan-2-olEINECS 208-598-71,5,5-Trimethylbicyclo[2.2.1]heptan-2-olDTXSID60968056QNNGNRWQCQDOMF-OYNCUSHFSA-N(1R,2S,4R)-1,5,5-trimethylnorbornan-2-olexo-1,5,5-trimethylbicyclo[2.2.1]heptan-2-olBicyclo[2.2.1]heptan-2-ol, 1,5,5-trimethyl-, (1R,2S,4R)-rel-
Database identifiers
- CAS
534-34-9、71686-38-9- PubChem CID
- 101754
- DTXSID
DTXSID60968056- EC Number
- 208-598-7
- Nikkaji
- J294.577K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 202.9 · 202.9±8.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- pka
- 15.35 · 15.35±0.60(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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