Basic information
- CAS
17140-74-8- Standard SMILES
CC1(C)C2CC=C(COCCO)C1C2- InChIKey
PGPOWYAOSYMYPB-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Ethanol, 2-((6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)methoxy)-(9CI)
- IUPAC
- 2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]ethanol
- English name
- 2-[(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]ethanol
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
17140-74-8SCHEMBL15798293DTXSID209379852-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]ethanolEthanol, 2-((6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)methoxy)-(9CI)2-[(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methoxy]ethan-1-olEthanol, 2-((6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)methoxy)-2-[(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]ethanolEthanol, 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methoxy]-
Database identifiers
- CAS
17140-74-8- PubChem CID
- 28331
- DTXSID
DTXSID20937985
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 281.8 · 281.8±23.0 °C(Predicted)
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- pka
- 14.39 · 14.39±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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