Bicyclo[2.2.2]octane-2-carboxaldehyde, 6-(1-methylethyl)-
Basic information
- CAS
67662-97-9- Standard SMILES
CC(C)C1CC2CCC1C(C=O)C2- InChIKey
HKKOMSBKTRIPJO-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]octane-2-carboxaldehyde, 6-(1-methylethyl)-
- IUPAC
- 6-propan-2-ylbicyclo[2.2.2]octane-2-carbaldehyde
- English name
- 6-isopropylbicyclo[2.2.2]octane-2-carbaldehyde
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
EINECS 266-842-8Bicyclo[2.2.2]octane-2-carboxaldehyde, 6-(1-methylethyl)-2-Isopropylbicyclo(2.2.2)octan-7-alDTXSID90886335Bicyclo(2.2.2)octane-2-carboxaldehyde, 6-(1-methylethyl)-RefChem:568186DTXCID90102566867662-97-96-Isopropylbicyclo(2.2.2)octane-2-carbaldehyde6-(propan-2-yl)bicyclo[2.2.2]octane-2-carbaldehydeHKKOMSBKTRIPJO-UHFFFAOYSA-NNS00055953
Show more names
6-isopropylbicyclo[2.2.2]octane-2-carbaldehyde6-(1-Methylethyl)bicyclo[2.2.2]octane-2-carbaldehyde
Database identifiers
- CAS
67662-97-9- PubChem CID
- 106752
- DTXSID
DTXSID90886335- EC Number
- 266-842-8
- Nikkaji
- J333.266G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 249.1 · 249.1±9.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.2]octane-2-carboxaldehyde, 6-(1-methylethyl)- (67662-97-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.2]octane-2-carboxaldehyde, 6-(1-methylethyl)-: INACTIVE
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Compound notes
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