[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate

C29H33F3O4Si — CID 15536602

IUPAC[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate
SMILESC[C@H](C(=O)O[C@H](c1ccccc1)C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1)[C@@](C)(O)C(F)(F)F
InChIInChI=1S/C29H33F3O4Si/c1-21(27(2,34)29(30,31)32)26(33)35-25(22-15-9-6-10-16-22)28(36-37(3,4)5,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,25,34H,1-5H3/t21-,25-,27-/m1/s1
InChIKeyFSIFECSXBTXANI-FZBZCGEPSA-N
MW530.66 g/mol
LogP7.02
Rot. Bonds9

About [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate

[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate (PubChem CID 15536602) has the molecular formula C29H33F3O4Si and a molecular weight of 530.66 g/mol. Its IUPAC name is [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate.

Molecular Properties

Compound Name[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate
PubChem CID15536602
Molecular FormulaC29H33F3O4Si
Molecular Weight530.66 g/mol
Exact Mass530.21
IUPAC Name[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate
SMILESC[C@H](C(=O)O[C@H](c1ccccc1)C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1)[C@@](C)(O)C(F)(F)F
InChIInChI=1S/C29H33F3O4Si/c1-21(27(2,34)29(30,31)32)26(33)35-25(22-15-9-6-10-16-22)28(36-37(3,4)5,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,25,34H,1-5H3/t21-,25-,27-/m1/s1
InChIKeyFSIFECSXBTXANI-FZBZCGEPSA-N
XLogP7.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate
CID 10984122
methyl (2R)-2-hydroxy-3-trityloxypropanoate
CID 11013905
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid
CID 134943635
3-Benzhydryloxy-2-(2-fluorophenyl)-3-oxopropanoic acid
CID 20377542
(5R)-3,3-difluoro-4-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 57693524
(4S,5R)-3,3-difluoro-4-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 57693541
Benzyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(trifluoromethyl)butanoate
CID 59466988
2-(1,2-Diphenylethoxycarbonyl)-4,4,4-trifluorobutanoic acid
CID 67050489
[(1S)-2-hydroxy-1,2,2-triphenylethyl] (Z,3S)-4-fluoro-3-hydroxy-6-phenylhex-4-enoate
CID 70365577
[(2S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate
CID 87870255
[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-2-triethylsilyloxypropyl] 2,2-dimethylpropanoate
CID 87870256

Frequently Asked Questions

What is the IUPAC name of [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate?
The IUPAC name of [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate (CID 15536602) is [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate.
What is the SMILES notation for [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate?
The canonical SMILES for [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate is C[C@H](C(=O)O[C@H](c1ccccc1)C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1)[C@@](C)(O)C(F)(F)F.
What is the InChIKey of [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate?
The InChIKey is FSIFECSXBTXANI-FZBZCGEPSA-N. The full InChI is InChI=1S/C29H33F3O4Si/c1-21(27(2,34)29(30,31)32)26(33)35-25(22-15-9-6-10-16-22)28(36-37(3,4)5,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,25,34H,1-5H3/t21-,25-,27-/m1/s1.
What are the key properties of [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate?
[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate has a molecular weight of 530.66 g/mol, XLogP of 7.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate is sourced from PubChem (CID 15536602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).