[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate

C33H54O4Si2 — CID 10030936

IUPAC[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C33H54O4Si2/c1-11-38(12-2,13-3)37-30(27(4)26-35-31(34)32(5,6)7)24-25-36-39(33(8,9)10,28-20-16-14-17-21-28)29-22-18-15-19-23-29/h14-23,27,30H,11-13,24-26H2,1-10H3/t27-,30+/m1/s1
InChIKeyOXASJDMVWBRRLO-OFSOJUDTSA-N
MW570.96 g/mol
LogP7.57
Rot. Bonds14

About [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate

[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate (PubChem CID 10030936) has the molecular formula C33H54O4Si2 and a molecular weight of 570.96 g/mol. Its IUPAC name is [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
PubChem CID10030936
Molecular FormulaC33H54O4Si2
Molecular Weight570.96 g/mol
Exact Mass570.36
IUPAC Name[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C33H54O4Si2/c1-11-38(12-2,13-3)37-30(27(4)26-35-31(34)32(5,6)7)24-25-36-39(33(8,9)10,28-20-16-14-17-21-28)29-22-18-15-19-23-29/h14-23,27,30H,11-13,24-26H2,1-10H3/t27-,30+/m1/s1
InChIKeyOXASJDMVWBRRLO-OFSOJUDTSA-N
XLogP7.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.96
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-triethylsilyloxyhexanal
CID 11179531
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
CID 134839010
(4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-5-triethylsilyloxyheptan-1-ol
CID 54753539
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
7-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxynonanal
CID 11388220
tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
CID 11331241
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
[(2R,3S,5R,7S,9S,10S)-11-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5,7,9-tetramethyl-10-(phenylmethoxymethoxy)undecyl] 2,2-dimethylpropanoate
CID 11468214
ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
CID 140759715
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate (CID 10030936) is [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate is CC[Si](CC)(CC)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)COC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The InChIKey is OXASJDMVWBRRLO-OFSOJUDTSA-N. The full InChI is InChI=1S/C33H54O4Si2/c1-11-38(12-2,13-3)37-30(27(4)26-35-31(34)32(5,6)7)24-25-36-39(33(8,9)10,28-20-16-14-17-21-28)29-22-18-15-19-23-29/h14-23,27,30H,11-13,24-26H2,1-10H3/t27-,30+/m1/s1.
What are the key properties of [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate has a molecular weight of 570.96 g/mol, XLogP of 7.57, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10030936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).