Poly(oxy-1,2-ethanediyl), I+/--[2-(2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-(3-methoxy-3-oxopropyl)phenyl]-I-hydroxy-
Basic information
- CAS
136457-10-8- Standard SMILES
COC(=O)CCc1cc(-n2nc3ccccc3n2)c(OCCO)c(C(C)(C)C)c1- InChIKey
XVGFURVCCQQZCC-UHFFFAOYSA-N- Molecular formula
- C22H27N3O4
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.20015635
Names & identifiers
- Preferred name
- Poly(oxy-1,2-ethanediyl), I+/--[2-(2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-(3-methoxy-3-oxopropyl)phenyl]-I-hydroxy-
- IUPAC
- methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-(2-hydroxyethoxy)phenyl]propanoate
Names & synonyms
DTXSID901105434136457-10-8Poly(oxy-1,2-ethanediyl), I+/--[2-(2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-(3-methoxy-3-oxopropyl)phenyl]-I-hydroxy-
Database identifiers
- CAS
136457-10-8- PubChem CID
- 165367102
- DTXSID
DTXSID901105434
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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