Basic information
- CAS
17441-67-7- Standard SMILES
OCC1C2C=CC(CC2)C1CO- InChIKey
FYTVZXRDKATZTF-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]oct-5-ene-2,3-dimethanol
- IUPAC
- [3-(hydroxymethyl)-2-bicyclo[2.2.2]oct-5-enyl]methanol
- English name
- Bicyclo[2.2.2]oct-5-ene-2,3-dimethanol
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
17441-67-7bicyclo[2.2.2]oct-5-ene-2,3-dimethanolNSC149533SCHEMBL3834797DTXSID30302180AKOS024318972NSC-149533(Bicyclo[2.2.2]oct-5-ene-2,3-diyl)dimethanolBICYCLO[2.2.2]OCT-5-ENE-2,3-DIYLDIMETHANOL
Database identifiers
- CAS
17441-67-7- PubChem CID
- 288359
- DTXSID
DTXSID30302180- Nikkaji
- J1.520.417F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 104 · 104-106 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 278.2 · 278.2±15.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 14.6 · 14.60±0.10(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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