Basic information
- Standard SMILES
C[C@@H](CO[Si](C)(C)C(C)(C)C)Oc1cc(OCc2ccccc2)cc(C(=O)O)c1- InChIKey
NJEREAVXCVWZOI-KRWDZBQOSA-N- Molecular formula
- C23H32O5Si
- Average molar mass
- 416.6 g/mol
Names & identifiers
- Preferred name
- 3-[((1S)-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-1-methylethyl)oxy]-5-[(phenylmethyl)oxy]benzoic acid
- IUPAC
- 3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-phenylmethoxybenzoic acid
Names & synonyms
SCHEMBL1427253NJEREAVXCVWZOI-KRWDZBQOSA-N3-[((1S)-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-1-methylethyl)oxy]-5-[(phenylmethyl)oxy]benzoic acid3-{(phenylmethyl)oxy}-5-((1S)-2-{[tert-butyl(dimethyl)silyl]oxy}-1-methylethoxy)benzoic acid
Database identifiers
- PubChem CID
- 53629634
Properties
Computed structural properties
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 510
Related reactions
16 records
Linked notes
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