Basic information
- CAS
90227-43-3- Standard SMILES
CC(C)C(O)C(C)(C)C(N)=O- InChIKey
NEDAPQCBLYSKRZ-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- Valeramide, 3-hydroxy-2,2,4-trimethyl
- IUPAC
- 3-hydroxy-2,2,4-trimethylpentanamide
Names & synonyms
Valeramide, 3-hydroxy-2,2,4-trimethyl3-hydroxy-2,2,4-trimethylpentanamideDTXSID30128100090227-43-3Pentanamide, 3-hydroxy-2,2,4-trimethyl-
Database identifiers
- CAS
90227-43-3- PubChem CID
- 522945
- DTXSID
DTXSID301281000
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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