Basic information
- CAS
19889-95-3- Standard SMILES
C[C@@H]1[C@H](O)C[C@@H]2C[C@H]1C2(C)C- InChIKey
REPVLJRCJUVQFA-RBXMUDONSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- (1R,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
- IUPAC
- (1R,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
- English name
- [1R-(1alpha,2alpha,3alpha,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
19889-95-3(1R,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol[1R-(1alpha,2alpha,3alpha,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol(1R-(1alpha,2alpha,3alpha,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-olEINECS 243-404-4SCHEMBL9246214DTXSID701207719(1R,5α)-2α,6,6-Trimethylbicyclo[3.1.1]heptan-3α-olBicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, (1R,2S,3R,5S)-
Database identifiers
- CAS
19889-95-3- PubChem CID
- 88296
- DTXSID
DTXSID701207719- EC Number
- 243-404-4
- Nikkaji
- J280.394A
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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