Basic information
- Standard SMILES
CCCC(=NOCC)C1=C(O)CC(c2c(C)cc(C)c(CO)c2C)CC1=O- InChIKey
QCZXYFYJXCBQCC-UHFFFAOYSA-N- Molecular formula
- C22H31NO4
- Average molar mass
- 373.5 g/mol
Names & identifiers
- Preferred name
- 2-[1-(Ethoxyimino)butyl]-3-hydroxy-5-(3-hydroxymethyl-2,4,6-trimethylphenyl)cyclohex-2-en-1-one
- IUPAC
- 2-(N-ethoxy-C-propylcarbonimidoyl)-3-hydroxy-5-[3-(hydroxymethyl)-2,4,6-trimethylphenyl]cyclohex-2-en-1-one
Names & synonyms
SCHEMBL10687564QCZXYFYJXCBQCC-UHFFFAOYSA-N2-[1-(Ethoxyimino)butyl]-3-hydroxy-5-(3-hydroxymethyl-2,4,6-trimethylphenyl)cyclohex-2-en-1-one
Database identifiers
- PubChem CID
- 136140229
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 583
Related reactions
3 records
Compound notes
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