Oxacyclohexadecane-2,13-dione 13-oxime
Basic information
- CAS
38538-07-7- Standard SMILES
O=C1CCCCCCCCCC/C(=N\O)CCCO1- InChIKey
ALVVVGFCZNOOFD-JQIJEIRASA-N- Molecular formula
- C15H27NO3
- Average molar mass
- 269.38 g/mol
- Monoisotopic mass
- 269.19909372
Names & identifiers
- Preferred name
- Oxacyclohexadecane-2,13-dione 13-oxime
- IUPAC
- (13E)-13-hydroxyimino-oxacyclohexadecan-2-one
Names & synonyms
Oxacyclohexadecane-2,13-dione 13-oxime(13E)-13-hydroxyimino-oxacyclohexadecan-2-oneY7K4H8P3PZMLS001179275CHEMBL3210423SMR000476248(13E)-Oxacyclohexadecane-2,13-dione 13-oximeOxacyclohexadecane-2,13-dione 13-oxime, (13E)-Oxacyclohexadecane-2,13-dione, 13-oxime, (13E)-769945-44-0
Database identifiers
- CAS
38538-07-7、769945-44-0- PubChem CID
- 5358271
- ChEMBL
CHEMBL3210423- UNII
- Y7K4H8P3PZ
- EC Number
- 253-990-3
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Solubility9.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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