[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane

C42H48O5Si — CID 101226506

IUPAC[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
SMILESCOc1ccc(C(OC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H48O5Si/c1-41(2,3)48(39-18-12-8-13-19-39,40-20-14-9-15-21-40)47-31-30-38(45-6)32-46-42(33-16-10-7-11-17-33,34-22-26-36(43-4)27-23-34)35-24-28-37(44-5)29-25-35/h7-29,38H,30-32H2,1-6H3/t38-/m0/s1
InChIKeyJUELMRIZKFQVGV-LHEWISCISA-N
MW660.93 g/mol
LogP7.99
Rot. Bonds15

About [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane

[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane (PubChem CID 101226506) has the molecular formula C42H48O5Si and a molecular weight of 660.93 g/mol. Its IUPAC name is [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
PubChem CID101226506
Molecular FormulaC42H48O5Si
Molecular Weight660.93 g/mol
Exact Mass660.33
IUPAC Name[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
SMILESCOc1ccc(C(OC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H48O5Si/c1-41(2,3)48(39-18-12-8-13-19-39,40-20-14-9-15-21-40)47-31-30-38(45-6)32-46-42(33-16-10-7-11-17-33,34-22-26-36(43-4)27-23-34)35-24-28-37(44-5)29-25-35/h7-29,38H,30-32H2,1-6H3/t38-/m0/s1
InChIKeyJUELMRIZKFQVGV-LHEWISCISA-N
XLogP7.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.93
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 176837310
[(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
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
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
(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-N-[(2,4-dimethoxyphenyl)methyl]butan-2-amine
CID 140800503
tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane
CID 11037593

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane (CID 101226506) is [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane is COc1ccc(C(OC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane?
The InChIKey is JUELMRIZKFQVGV-LHEWISCISA-N. The full InChI is InChI=1S/C42H48O5Si/c1-41(2,3)48(39-18-12-8-13-19-39,40-20-14-9-15-21-40)47-31-30-38(45-6)32-46-42(33-16-10-7-11-17-33,34-22-26-36(43-4)27-23-34)35-24-28-37(44-5)29-25-35/h7-29,38H,30-32H2,1-6H3/t38-/m0/s1.
What are the key properties of [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane?
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane has a molecular weight of 660.93 g/mol, XLogP of 7.99, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 101226506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).