rel-Methyl (1R,2S,3R,4S)-5-methyl-3-[(phenylmethoxy)methyl]-1-[[tris(1-methylethyl)silyl]oxy]bicyclo[2.2.2]oct-5-ene-2-carboxylate
Basic information
- CAS
132180-02-0- Standard SMILES
COC(=O)[C@H]1[C@H](COCc2ccccc2)[C@@H]2CC[C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)C=C2C- InChIKey
OCXXHPKIXZIUHW-IYUNARRTSA-N- Molecular formula
- C28H44O4Si
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.30088641
Names & identifiers
- Preferred name
- rel-Methyl (1R,2S,3R,4S)-5-methyl-3-[(phenylmethoxy)methyl]-1-[[tris(1-methylethyl)silyl]oxy]bicyclo[2.2.2]oct-5-ene-2-carboxylate
- IUPAC
- methyl (1R,2S,3R,4S)-5-methyl-3-(phenylmethoxymethyl)-1-tri(propan-2-yl)silyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate
Names & synonyms
DTXSID901102666132180-02-0rel-Methyl (1R,2S,3R,4S)-5-methyl-3-[(phenylmethoxy)methyl]-1-[[tris(1-methylethyl)silyl]oxy]bicyclo[2.2.2]oct-5-ene-2-carboxylate
Database identifiers
- CAS
132180-02-0- PubChem CID
- 165366754
- DTXSID
DTXSID901102666
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 672
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Compound notes
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