Basic information
- Standard SMILES
C/C=C/C=C/C(=O)NC(C)(C)C- InChIKey
ZLVJGRFTDLGBAD-BSWSSELBSA-N- Molecular formula
- C10H17NO
- Average molar mass
- 167.25 g/mol
Names & identifiers
- Preferred name
- sorbic acid N-t-butylamide
- IUPAC
- (2E,4E)-N-tert-butylhexa-2,4-dienamide
Names & synonyms
sorbic acid N-t-butylamideSCHEMBL9029651ZLVJGRFTDLGBAD-BSWSSELBSA-N
Database identifiers
- PubChem CID
- 86748895
- Nikkaji
- J1.950.964H、J2.420.604A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Related reactions
1 records
Compound notes
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