Bicyclo[2.2.2]oct-2-en-1-ol
Basic information
- CAS
68211-36-9- Standard SMILES
OC12C=CC(CC1)CC2- InChIKey
YTZYREKPCQTYTM-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]oct-2-en-1-ol
- IUPAC
- bicyclo[2.2.2]oct-2-en-1-ol
- English name
- Bicyclo[2.2.2]oct-2-en-1-ol
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
Bicyclo[2.2.2]oct-2-en-1-ol68211-36-9Bicyclo(2.2.2)oct-2-en-1-olSCHEMBL162584orb3030403DTXSID50218390Fr13915SDCCGMLS-0066188.P001
Database identifiers
- CAS
68211-36-9- PubChem CID
- 144286
- DTXSID
DTXSID50218390
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 198.1 · 198.1±9.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- pka
- 14.7 · 14.70±0.20(Predicted)
- HS Code
- 2906190090 · 2906190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2906190090
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Related reactions
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Compound notes
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