tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane

C39H50O4Si — CID 15417385

IUPACtert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane
SMILESCOc1ccc(COCCCCC(CO[Si](C)(C)C(C)(C)C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H50O4Si/c1-38(2,3)44(5,6)42-31-37(24-16-17-29-41-30-32-25-27-36(40-4)28-26-32)43-39(33-18-10-7-11-19-33,34-20-12-8-13-21-34)35-22-14-9-15-23-35/h7-15,18-23,25-28,37H,16-17,24,29-31H2,1-6H3
InChIKeyGXIXLTVVKAYPMH-UHFFFAOYSA-N
MW610.91 g/mol
LogP9.78
Rot. Bonds16

About tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane

tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane (PubChem CID 15417385) has the molecular formula C39H50O4Si and a molecular weight of 610.91 g/mol. Its IUPAC name is tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane
PubChem CID15417385
Molecular FormulaC39H50O4Si
Molecular Weight610.91 g/mol
Exact Mass610.35
IUPAC Nametert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane
SMILESCOc1ccc(COCCCCC(CO[Si](C)(C)C(C)(C)C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H50O4Si/c1-38(2,3)44(5,6)42-31-37(24-16-17-29-41-30-32-25-27-36(40-4)28-26-32)43-39(33-18-10-7-11-19-33,34-20-12-8-13-21-34)35-22-14-9-15-23-35/h7-15,18-23,25-28,37H,16-17,24,29-31H2,1-6H3
InChIKeyGXIXLTVVKAYPMH-UHFFFAOYSA-N
XLogP9.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.91
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]non-1-en-3-ol
CID 135025916
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene
CID 22177536
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
[(2S)-1-[(2R,3R,4S,5S)-5-(2-butoxyethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxymethyl]oxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 134990310

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane (CID 15417385) is tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane is COc1ccc(COCCCCC(CO[Si](C)(C)C(C)(C)C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane?
The InChIKey is GXIXLTVVKAYPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50O4Si/c1-38(2,3)44(5,6)42-31-37(24-16-17-29-41-30-32-25-27-36(40-4)28-26-32)43-39(33-18-10-7-11-19-33,34-20-12-8-13-21-34)35-22-14-9-15-23-35/h7-15,18-23,25-28,37H,16-17,24,29-31H2,1-6H3.
What are the key properties of tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane?
tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane has a molecular weight of 610.91 g/mol, XLogP of 9.78, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane is sourced from PubChem (CID 15417385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).