Basic information
- CAS
69300-17-0- Standard SMILES
COC(C)(C)CCCC(C)CC#N- InChIKey
IUVOEDXVVOJVDB-UHFFFAOYSA-N- Molecular formula
- C11H21NO
- Average molar mass
- 183.29 g/mol
- Monoisotopic mass
- 183.16231429
Names & identifiers
- Preferred name
- Octanenitrile, 7-methoxy-3,7-dimethyl-
- IUPAC
- 7-methoxy-3,7-dimethyloctanenitrile
- English name
- 7-methoxy-3,7-dimethyloctanenitrile
- Molecular formula
- C11H21NO
- Molecular weight
- 183.29054
Names & synonyms
7-Methoxy-3,7-dimethyloctanenitrileOctanenitrile, 7-methoxy-3,7-dimethyl-EINECS 273-961-93,7-Dimethyl-7-methoxyoctanonitrileDTXSID80887659RefChem:167790DTXCID201026946273-961-969300-17-0SCHEMBL11296883IUVOEDXVVOJVDB-UHFFFAOYSA-NNS00061846
Database identifiers
- CAS
69300-17-0- PubChem CID
- 112150
- DTXSID
DTXSID80887659- EC Number
- 273-961-9
- Nikkaji
- J317.969I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- LogP
- 2.137 · 2.137 (est)
- EPA Substance Registry System
- 7 · Octanenitrile, 7-methoxy-3,7-dimethyl- (69300-17-0)
- 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.
Hazard information
Regulatory InformationChemical: Octanenitrile, 7-methoxy-3,7-dimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctanenitrile, 7-methoxy-3,7-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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