Bicyclo(3.1.1)hept-2-ene-2-butanal, 6,6-dimethyl-
Basic information
- CAS
38049-28-4- Standard SMILES
CC1(C)C2CC=C(CCCC=O)C1C2- InChIKey
OAOCPPMHQWFIRS-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- Bicyclo(3.1.1)hept-2-ene-2-butanal, 6,6-dimethyl-
- IUPAC
- 4-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)butanal
- English name
- 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-butyraldehyde
- Molecular formula
- C13H20O
- Molecular weight
- 192.3
Names & synonyms
Bicyclo(3.1.1)hept-2-ene-2-butanal, 6,6-dimethyl-EINECS 253-756-0AI3-27599Bicyclo[3.1.1]hept-2-ene-2-butanal, 6,6-dimethyl-DTXSID80865896RefChem:568197DTXCID9081425438049-28-44-{6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL}BUTANAL4-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)butanalSCHEMBL2417362OAOCPPMHQWFIRS-UHFFFAOYSA-N
Show more names
6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-butanal7,7-Dimethylbicyclo[3.1.1]hepta-2-ene-2-butanal6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-butyraldehyde
NS00056938EN300-18716346,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-butyraldehyde
Database identifiers
- CAS
38049-28-4- PubChem CID
- 162285
- DTXSID
DTXSID80865896- EC Number
- 253-756-0
- Nikkaji
- J261.288G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 271.2 · 271.2±19.0 °C(Predicted)
- Density
- 0.948 · 0.948±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3.1 · Bicyclo[3.1.1]hept-2-ene-2-butanal, 6,6-dimethyl- (38049-28-4)
- 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[3.1.1]hept-2-ene-2-butanal, 6,6-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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