Basic information
- CAS
68584-55-4- Standard SMILES
CC(C)CCCOCCC#N- InChIKey
JJVAFWYQVQJPIM-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 3-[(4-Methylpentyl)oxy]propanenitrile
- IUPAC
- 3-(4-methylpentoxy)propanenitrile
Names & synonyms
3-[(4-methylpentyl)oxy]propanenitrileDTXSID80988251JJVAFWYQVQJPIM-UHFFFAOYSA-N98684-55-0
Database identifiers
- CAS
68584-55-4、98684-55-0- PubChem CID
- 110609
- DTXSID
DTXSID80988251
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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