tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane

C47H58O5Si — CID 11556737

IUPACtert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane
SMILESCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](OCc1ccccc1)[C@H](C)[C@@H](OCc1ccccc1)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C47H58O5Si/c1-37(32-49-33-39-22-12-7-13-23-39)45(50-34-40-24-14-8-15-25-40)38(2)46(51-35-41-26-16-9-17-27-41)44(48-6)36-52-53(47(3,4)5,42-28-18-10-19-29-42)43-30-20-11-21-31-43/h7-31,37-38,44-46H,32-36H2,1-6H3/t37-,38+,44-,45-,46-/m0/s1
InChIKeyDVSJHHRSLIFOAX-CYKIFUSISA-N
MW731.06 g/mol
LogP9.24
Rot. Bonds20

About tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane

tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane (PubChem CID 11556737) has the molecular formula C47H58O5Si and a molecular weight of 731.06 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane
PubChem CID11556737
Molecular FormulaC47H58O5Si
Molecular Weight731.06 g/mol
Exact Mass730.41
IUPAC Nametert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane
SMILESCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](OCc1ccccc1)[C@H](C)[C@@H](OCc1ccccc1)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C47H58O5Si/c1-37(32-49-33-39-22-12-7-13-23-39)45(50-34-40-24-14-8-15-25-40)38(2)46(51-35-41-26-16-9-17-27-41)44(48-6)36-52-53(47(3,4)5,42-28-18-10-19-29-42)43-30-20-11-21-31-43/h7-31,37-38,44-46H,32-36H2,1-6H3/t37-,38+,44-,45-,46-/m0/s1
InChIKeyDVSJHHRSLIFOAX-CYKIFUSISA-N
XLogP9.24
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.06
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane with MolForge

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Related Compounds

(2S,3S,4R,5S,6S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptan-2-ol
CID 11542185
(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
CID 14394625
methyl (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11081908
(2S,3S,4S,5S,6S)-2,4,6-trimethyl-3,5,7-tris(phenylmethoxy)heptanal
CID 54752965
(E,2S,6R,7R,8S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethyl-9-phenylmethoxynon-4-ene-3,7-diol
CID 135008819
methyl (2S,3S,4S)-2-benzyl-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11082622
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
[(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-formyloxy-2-(phenylmethoxymethyl)butyl] formate
CID 140825986
methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate
CID 11649711
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
(3R,5S,7S,8S)-9-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyl-8-(phenylmethoxymethoxy)nonan-1-ol
CID 101267153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane (CID 11556737) is tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane is CO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](OCc1ccccc1)[C@H](C)[C@@H](OCc1ccccc1)[C@@H](C)COCc1ccccc1.
What is the InChIKey of tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane?
The InChIKey is DVSJHHRSLIFOAX-CYKIFUSISA-N. The full InChI is InChI=1S/C47H58O5Si/c1-37(32-49-33-39-22-12-7-13-23-39)45(50-34-40-24-14-8-15-25-40)38(2)46(51-35-41-26-16-9-17-27-41)44(48-6)36-52-53(47(3,4)5,42-28-18-10-19-29-42)43-30-20-11-21-31-43/h7-31,37-38,44-46H,32-36H2,1-6H3/t37-,38+,44-,45-,46-/m0/s1.
What are the key properties of tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane?
tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane has a molecular weight of 731.06 g/mol, XLogP of 9.24, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane is sourced from PubChem (CID 11556737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).