tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane

C48H60O6Si2 — CID 11491253

IUPACtert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)Oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H60O6Si2/c1-47(2,3)55(7,8)53-45-43-41(51-34-37-24-18-13-19-25-37)30-40(50-33-36-22-16-12-17-23-36)31-42(43)52-44(46(45)54-56(9,10)48(4,5)6)38-26-28-39(29-27-38)49-32-35-20-14-11-15-21-35/h11-31,44-46H,32-34H2,1-10H3/t44-,45+,46-/m1/s1
InChIKeyLGHKIOLSPCHLHL-ZUYNZICMSA-N
MW789.17 g/mol
LogP13.01
Rot. Bonds14

About tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane (PubChem CID 11491253) has the molecular formula C48H60O6Si2 and a molecular weight of 789.17 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane
PubChem CID11491253
Molecular FormulaC48H60O6Si2
Molecular Weight789.17 g/mol
Exact Mass788.39
IUPAC Nametert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)Oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H60O6Si2/c1-47(2,3)55(7,8)53-45-43-41(51-34-37-24-18-13-19-25-37)30-40(50-33-36-22-16-12-17-23-36)31-42(43)52-44(46(45)54-56(9,10)48(4,5)6)38-26-28-39(29-27-38)49-32-35-20-14-11-15-21-35/h11-31,44-46H,32-34H2,1-10H3/t44-,45+,46-/m1/s1
InChIKeyLGHKIOLSPCHLHL-ZUYNZICMSA-N
XLogP13.01
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.17
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
[(2R,3R,4S)-4-(2-hydroxyethoxy)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] acetate
CID 177496265
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol
CID 14275083
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
[(2R,3R,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-(2-ethoxyethoxy)-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(phenylmethoxy)benzoate
CID 164670475
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
(5S)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-13,15-bis(phenylmethoxy)-4-oxabicyclo[10.4.0]hexadeca-1(12),8,13,15-tetraen-3-one
CID 135011475
[4-(1,3-benzothiazol-2-ylsulfanyl)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 22052698
(2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 102464492
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one
CID 11377688
2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol
CID 153336312

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane (CID 11491253) is tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)Oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane?
The InChIKey is LGHKIOLSPCHLHL-ZUYNZICMSA-N. The full InChI is InChI=1S/C48H60O6Si2/c1-47(2,3)55(7,8)53-45-43-41(51-34-37-24-18-13-19-25-37)30-40(50-33-36-22-16-12-17-23-36)31-42(43)52-44(46(45)54-56(9,10)48(4,5)6)38-26-28-39(29-27-38)49-32-35-20-14-11-15-21-35/h11-31,44-46H,32-34H2,1-10H3/t44-,45+,46-/m1/s1.
What are the key properties of tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane has a molecular weight of 789.17 g/mol, XLogP of 13.01, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11491253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).