[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane

C43H50O6Si — CID 176837310

IUPAC[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
SMILESCOCCO[C@@H](COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H50O6Si/c1-42(2,3)50(40-18-12-8-13-19-40,41-20-14-9-15-21-41)49-33-39(47-31-30-44-4)32-48-43(34-16-10-7-11-17-34,35-22-26-37(45-5)27-23-35)36-24-28-38(46-6)29-25-36/h7-29,39H,30-33H2,1-6H3/t39-/m0/s1
InChIKeyYKNDVZXTGMCJHF-KDXMTYKHSA-N
MW690.95 g/mol
LogP7.62
Rot. Bonds17

About [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane

[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane (PubChem CID 176837310) has the molecular formula C43H50O6Si and a molecular weight of 690.95 g/mol. Its IUPAC name is [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
PubChem CID176837310
Molecular FormulaC43H50O6Si
Molecular Weight690.95 g/mol
Exact Mass690.34
IUPAC Name[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
SMILESCOCCO[C@@H](COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H50O6Si/c1-42(2,3)50(40-18-12-8-13-19-40,41-20-14-9-15-21-41)49-33-39(47-31-30-44-4)32-48-43(34-16-10-7-11-17-34,35-22-26-37(45-5)27-23-35)36-24-28-38(46-6)29-25-36/h7-29,39H,30-33H2,1-6H3/t39-/m0/s1
InChIKeyYKNDVZXTGMCJHF-KDXMTYKHSA-N
XLogP7.62
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.95
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 154592632
2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
CID 142497056
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468
1-[[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(5-bromopentoxy)propoxy]-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 139633696
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
1-[(2-decoxy-3-dodecylsulfanylpropoxy)-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 59819529
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
CID 101038575

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane (CID 176837310) is [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane is COCCO[C@@H](COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane?
The InChIKey is YKNDVZXTGMCJHF-KDXMTYKHSA-N. The full InChI is InChI=1S/C43H50O6Si/c1-42(2,3)50(40-18-12-8-13-19-40,41-20-14-9-15-21-41)49-33-39(47-31-30-44-4)32-48-43(34-16-10-7-11-17-34,35-22-26-37(45-5)27-23-35)36-24-28-38(46-6)29-25-36/h7-29,39H,30-33H2,1-6H3/t39-/m0/s1.
What are the key properties of [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane?
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane has a molecular weight of 690.95 g/mol, XLogP of 7.62, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 176837310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).