Basic information
- CAS
4111-10-8- Standard SMILES
CC(C)C(C)(O)C#N- InChIKey
QCKRFEBWZBKGTR-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- 2-Hydroxy-2,3-dimethylbutanenitrile
- IUPAC
- 2-hydroxy-2,3-dimethylbutanenitrile
Names & synonyms
2-hydroxy-2,3-dimethylbutanenitrile4111-10-8DTXSID60277190RefChem:261590DTXCID60228349NSC-1064Butanenitrile, 2-hydroxy-2,3-dimethyl-6BD47FR69QSCHEMBL16057563-Methyl-2-butanone cyanohydrinNSC1064Isopropyl methyl ketone cyanohydrin
Show more names
2-hydroxy-2,3-dimethylbutyronitrilAKOS009470965Butyronitrile, 2-hydroxy-2,3-dimethyl-2-HYDROXY-2,3-DIMETHYLBUTYRONITRILE
Database identifiers
- CAS
4111-10-8- PubChem CID
- 219601
- DTXSID
DTXSID60277190- UNII
- 6BD47FR69Q
- Nikkaji
- J1.337.551H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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