[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane

C50H58O5Si2 — CID 70074975

IUPAC[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane
SMILESCOc1cc(CCC(C)(C)[Si](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)CCc2cc(OC)cc(OC)c2)(c2ccccc2)c2ccccc2)cc(OC)c1
InChIInChI=1S/C50H58O5Si2/c1-49(2,31-29-39-33-41(51-5)37-42(34-39)52-6)56(45-21-13-9-14-22-45,46-23-15-10-16-24-46)55-57(47-25-17-11-18-26-47,48-27-19-12-20-28-48)50(3,4)32-30-40-35-43(53-7)38-44(36-40)54-8/h9-28,33-38H,29-32H2,1-8H3
InChIKeyRVVFJEVRFZAVIP-UHFFFAOYSA-N
MW795.18 g/mol
LogP9.38
Rot. Bonds18

About [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane

[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane (PubChem CID 70074975) has the molecular formula C50H58O5Si2 and a molecular weight of 795.18 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane
PubChem CID70074975
Molecular FormulaC50H58O5Si2
Molecular Weight795.18 g/mol
Exact Mass794.38
IUPAC Name[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane
SMILESCOc1cc(CCC(C)(C)[Si](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)CCc2cc(OC)cc(OC)c2)(c2ccccc2)c2ccccc2)cc(OC)c1
InChIInChI=1S/C50H58O5Si2/c1-49(2,31-29-39-33-41(51-5)37-42(34-39)52-6)56(45-21-13-9-14-22-45,46-23-15-10-16-24-46)55-57(47-25-17-11-18-26-47,48-27-19-12-20-28-48)50(3,4)32-30-40-35-43(53-7)38-44(36-40)54-8/h9-28,33-38H,29-32H2,1-8H3
InChIKeyRVVFJEVRFZAVIP-UHFFFAOYSA-N
XLogP9.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.18
LogP ≤ 59.38
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

[11-(4-methoxyphenyl)-2-methylundecan-2-yl]-[[11-(4-methoxyphenyl)-2-methylundecan-2-yl]-diphenylsilyl]oxy-diphenylsilane
CID 57108762
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene
CID 135218322
CID 164591551
CID 164591551
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine
CID 143649592
sodium 2-(3,5-dimethoxyphenyl)ethanolate
CID 175142417
1-butyl-3,5-dimethoxybenzene
CID 524875
1,3-dimethoxy-5-(3-phenylprop-2-ynyl)benzene
CID 67418685
1-methoxy-3,5-bis(phenylmethoxymethyl)benzene
CID 22899511
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane?
The IUPAC name of [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane (CID 70074975) is [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane is COc1cc(CCC(C)(C)[Si](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)CCc2cc(OC)cc(OC)c2)(c2ccccc2)c2ccccc2)cc(OC)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane?
The InChIKey is RVVFJEVRFZAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H58O5Si2/c1-49(2,31-29-39-33-41(51-5)37-42(34-39)52-6)56(45-21-13-9-14-22-45,46-23-15-10-16-24-46)55-57(47-25-17-11-18-26-47,48-27-19-12-20-28-48)50(3,4)32-30-40-35-43(53-7)38-44(36-40)54-8/h9-28,33-38H,29-32H2,1-8H3.
What are the key properties of [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane?
[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane has a molecular weight of 795.18 g/mol, XLogP of 9.38, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-[[4-(3,5-dimethoxyphenyl)-2-methylbutan-2-yl]-diphenylsilyl]oxy-diphenylsilane is sourced from PubChem (CID 70074975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).