triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane

C26H42O6SSi2 — CID 68846778

IUPACtriethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane
SMILESCC[Si](CC)(CC)Oc1cc(OC)ccc1S(=O)(=O)c1ccc(OC)cc1O[Si](CC)(CC)CC
InChIInChI=1S/C26H42O6SSi2/c1-9-34(10-2,11-3)31-23-19-21(29-7)15-17-25(23)33(27,28)26-18-16-22(30-8)20-24(26)32-35(12-4,13-5)14-6/h15-20H,9-14H2,1-8H3
InChIKeyWWJVZVWKQLCHIX-UHFFFAOYSA-N
MW538.86 g/mol
LogP7.30
Rot. Bonds14

About triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane

triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane (PubChem CID 68846778) has the molecular formula C26H42O6SSi2 and a molecular weight of 538.86 g/mol. Its IUPAC name is triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane.

Molecular Properties

Compound Nametriethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane
PubChem CID68846778
Molecular FormulaC26H42O6SSi2
Molecular Weight538.86 g/mol
Exact Mass538.22
IUPAC Nametriethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane
SMILESCC[Si](CC)(CC)Oc1cc(OC)ccc1S(=O)(=O)c1ccc(OC)cc1O[Si](CC)(CC)CC
InChIInChI=1S/C26H42O6SSi2/c1-9-34(10-2,11-3)31-23-19-21(29-7)15-17-25(23)33(27,28)26-18-16-22(30-8)20-24(26)32-35(12-4,13-5)14-6/h15-20H,9-14H2,1-8H3
InChIKeyWWJVZVWKQLCHIX-UHFFFAOYSA-N
XLogP7.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.86
LogP ≤ 57.30
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

1-ethylsulfonyl-4-methoxy-2-methylbenzene
CID 69494919
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
ethyl 2,5-dimethoxybenzenesulfonate
CID 164678093
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
(2,5-dimethoxyphenyl) sulfamate
CID 56992916
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777

Frequently Asked Questions

What is the IUPAC name of triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane?
The IUPAC name of triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane (CID 68846778) is triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane.
What is the SMILES notation for triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane?
The canonical SMILES for triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane is CC[Si](CC)(CC)Oc1cc(OC)ccc1S(=O)(=O)c1ccc(OC)cc1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane?
The InChIKey is WWJVZVWKQLCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O6SSi2/c1-9-34(10-2,11-3)31-23-19-21(29-7)15-17-25(23)33(27,28)26-18-16-22(30-8)20-24(26)32-35(12-4,13-5)14-6/h15-20H,9-14H2,1-8H3.
What are the key properties of triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane?
triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane has a molecular weight of 538.86 g/mol, XLogP of 7.30, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[5-methoxy-2-(4-methoxy-2-triethylsilyloxyphenyl)sulfonylphenoxy]silane is sourced from PubChem (CID 68846778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).