Basic information
- CAS
93963-41-8- Standard SMILES
COC(C)(C)C1CCCCCC1- InChIKey
SGSKWKGPQDARMQ-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Names & identifiers
- Preferred name
- (1-Methoxy-1-methylethyl)cycloheptane
- IUPAC
- 2-methoxypropan-2-ylcycloheptane
- English name
- (1-methoxy-1-methylethyl)cycloheptane
- Molecular formula
- C11H22O
- Molecular weight
- 170.29178
Names & synonyms
(1-Methoxy-1-methylethyl)cycloheptane93963-41-8EINECS 300-784-7DTXSID70239961RefChem:68131DTXCID20162452300-784-7FVT3MMR75HUNII-FVT3MMR75H2-methoxypropan-2-ylcycloheptane(2-METHOXYPROPAN-2-YL)CYCLOHEPTANESGSKWKGPQDARMQ-UHFFFAOYSA-N
Show more names
Cycloheptane, (1-methoxy-1-methylethyl)-NS00039798
Database identifiers
- CAS
93963-41-8- PubChem CID
- 3023091
- DTXSID
DTXSID70239961- UNII
- FVT3MMR75H
- EC Number
- 300-784-7
- Nikkaji
- J349.569H
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 121
Physicochemical properties
- FDA UNII
- 3 MMR75H · FVT3MMR75H
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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