[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate

C32H40O4Si — CID 10984122

IUPAC[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate
SMILESCC(=O)[C@H](C)[C@H](C)[C@H](C)C(=O)O[C@H](c1ccccc1)C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H40O4Si/c1-23(24(2)26(4)33)25(3)31(34)35-30(27-17-11-8-12-18-27)32(36-37(5,6)7,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-25,30H,1-7H3/t23-,24+,25-,30+/m0/s1
InChIKeyXDFNWMKNUBJZCW-YDXRHMNESA-N
MW516.75 g/mol
LogP7.56
Rot. Bonds11

About [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate

[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate (PubChem CID 10984122) has the molecular formula C32H40O4Si and a molecular weight of 516.75 g/mol. Its IUPAC name is [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate.

Molecular Properties

Compound Name[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate
PubChem CID10984122
Molecular FormulaC32H40O4Si
Molecular Weight516.75 g/mol
Exact Mass516.27
IUPAC Name[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate
SMILESCC(=O)[C@H](C)[C@H](C)[C@H](C)C(=O)O[C@H](c1ccccc1)C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H40O4Si/c1-23(24(2)26(4)33)25(3)31(34)35-30(27-17-11-8-12-18-27)32(36-37(5,6)7,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-25,30H,1-7H3/t23-,24+,25-,30+/m0/s1
InChIKeyXDFNWMKNUBJZCW-YDXRHMNESA-N
XLogP7.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.75
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-methoxy-1-oxo-3-trityloxypropan-2-yl] 3-oxooctadecanoate
CID 11734907
[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3R)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoate
CID 15536602
benzyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-(4-fluorophenyl)phenyl]propanoate
CID 140767911
ethyl (2R,8S)-8-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxy-2-(trifluoromethyl)nonanoate
CID 169126102
[(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-(5-fluoro-2-methylphenyl)ethyl] butanoate
CID 173693674
[(E,2S,3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris(phenylmethoxy)hept-5-en-2-yl] acetate
CID 68720205
(4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one
CID 10785516
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
(4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one
CID 11002734
(2S,6E,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-11-iodo-2,10-dimethyl-6-(trityloxymethyl)undeca-6,10-dienal
CID 11227920
ethyl (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-trityloxyocta-2,4-dienoate
CID 11330389
dibenzyl 2-[(1R)-3-oxo-1-phenylbutyl]propanedioate
CID 11373789

Frequently Asked Questions

What is the IUPAC name of [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate?
The IUPAC name of [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate (CID 10984122) is [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate.
What is the SMILES notation for [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate?
The canonical SMILES for [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate is CC(=O)[C@H](C)[C@H](C)[C@H](C)C(=O)O[C@H](c1ccccc1)C(O[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate?
The InChIKey is XDFNWMKNUBJZCW-YDXRHMNESA-N. The full InChI is InChI=1S/C32H40O4Si/c1-23(24(2)26(4)33)25(3)31(34)35-30(27-17-11-8-12-18-27)32(36-37(5,6)7,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-25,30H,1-7H3/t23-,24+,25-,30+/m0/s1.
What are the key properties of [(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate?
[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate has a molecular weight of 516.75 g/mol, XLogP of 7.56, 11 rotatable bonds, 0 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,3S,4R)-2,3,4-trimethyl-5-oxohexanoate is sourced from PubChem (CID 10984122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).