tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane

C48H60O5Si2 — CID 89404905

IUPACtert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C=C/Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[Si](C)(C)C(C)(C)C)cc1OCc1ccccc1
InChIInChI=1S/C48H60O5Si2/c1-47(2,3)54(7,8)52-43-30-29-37(31-46(43)51-36-40-25-18-13-19-26-40)27-20-28-42-44(50-35-39-23-16-12-17-24-39)32-41(49-34-38-21-14-11-15-22-38)33-45(42)53-55(9,10)48(4,5)6/h11-27,29-33H,28,34-36H2,1-10H3/b27-20+
InChIKeyYFZHKECMLGNVQC-NHFJDJAPSA-N
MW773.18 g/mol
LogP13.45
Rot. Bonds16

About tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane

tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane (PubChem CID 89404905) has the molecular formula C48H60O5Si2 and a molecular weight of 773.18 g/mol. Its IUPAC name is tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
PubChem CID89404905
Molecular FormulaC48H60O5Si2
Molecular Weight773.18 g/mol
Exact Mass772.40
IUPAC Nametert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C=C/Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[Si](C)(C)C(C)(C)C)cc1OCc1ccccc1
InChIInChI=1S/C48H60O5Si2/c1-47(2,3)54(7,8)52-43-30-29-37(31-46(43)51-36-40-25-18-13-19-26-40)27-20-28-42-44(50-35-39-23-16-12-17-24-39)32-41(49-34-38-21-14-11-15-22-38)33-45(42)53-55(9,10)48(4,5)6/h11-27,29-33H,28,34-36H2,1-10H3/b27-20+
InChIKeyYFZHKECMLGNVQC-NHFJDJAPSA-N
XLogP13.45
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.18
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[4-[3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 123893519
tert-butyl-[2-ethoxy-4-[(E)-3-phenylprop-1-enyl]phenoxy]-dimethylsilane
CID 67982731
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol
CID 71251677
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate
CID 10722368
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-6-phenylmethoxyphenyl]-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 102101367
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
[3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-5-phenylmethoxyphenyl] trifluoromethanesulfonate
CID 11858935

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane (CID 89404905) is tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(/C=C/Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[Si](C)(C)C(C)(C)C)cc1OCc1ccccc1.
What is the InChIKey of tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane?
The InChIKey is YFZHKECMLGNVQC-NHFJDJAPSA-N. The full InChI is InChI=1S/C48H60O5Si2/c1-47(2,3)54(7,8)52-43-30-29-37(31-46(43)51-36-40-25-18-13-19-26-40)27-20-28-42-44(50-35-39-23-16-12-17-24-39)32-41(49-34-38-21-14-11-15-22-38)33-45(42)53-55(9,10)48(4,5)6/h11-27,29-33H,28,34-36H2,1-10H3/b27-20+.
What are the key properties of tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane?
tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane has a molecular weight of 773.18 g/mol, XLogP of 13.45, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane is sourced from PubChem (CID 89404905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).