Basic information
- CAS
40648-26-8- Standard SMILES
CC1=C(OC(C)(C)C)CCCC1- InChIKey
WNOSRZVDBAROLB-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 1-(Tert-butoxy)-2-methylcyclohexene
- IUPAC
- 1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexene
- English name
- 1-tert-Butoxy-2-methyl-1-cyclohexene
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
40648-26-81-(TERT-BUTOXY)-2-METHYLCYCLOHEXENEDTXSID00193648RefChem:227129DTXCID40116139Cyclohexene, 1-(1,1-dimethylethoxy)-2-methyl-WNOSRZVDBAROLB-UHFFFAOYSA-N1-tert-Butoxy-2-methylcyclohex-1-ene1-tert-Butoxy-2-methyl-1-cyclohexene #1-tert-Butoxy-2-methyl-1-cyclohexene1-(1,1-Dimethylethoxy)-2-methyl-1-cyclohexene
Database identifiers
- CAS
40648-26-8- PubChem CID
- 38566
- DTXSID
DTXSID00193648- Nikkaji
- J113.126E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 231.5 · 231.5±19.0 °C(Predicted)
- Density
- 0.87 · 0.87±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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