1-Methoxy-4-methylbicyclo(2.2.2)octane
Basic information
- CAS
6555-95-9- Standard SMILES
COC12CCC(C)(CC1)CC2- InChIKey
NXGYBOISDZEYCB-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 1-Methoxy-4-methylbicyclo(2.2.2)octane
- IUPAC
- 1-methoxy-4-methylbicyclo[2.2.2]octane
- English name
- 1-Methoxy-4-methylbicyclo[2.2.2]octane
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
6555-95-91-Methoxy-4-methylbicyclo[2.2.2]octane1-METHOXY-4-METHYLBICYCLO(2.2.2)OCTANEDTXSID70215841RefChem:231343DTXCID00138332Bicyclo[2.2.2]octane, 1-methoxy-4-methyl-BICYCLO[2.2.2]OCTANE,1-METHOXY-4-METHYL-SCHEMBL13040601NXGYBOISDZEYCB-UHFFFAOYSA-N1-Methoxy-4-methylbicyclo[2.2.2]octane #
Database identifiers
- CAS
6555-95-9- PubChem CID
- 23049
- DTXSID
DTXSID70215841- Nikkaji
- J100.124H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 79.5 °C · 79.5 °C(Press: 22 Torr)
- Density
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- Comptox DTXSID
- 70215841 · DTXSID70215841
- HS Code
- 2909200000 · 2909200000
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
- hs_code
- 2909200000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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