2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane

C90H152O26Si6 — CID 159458896

IUPAC2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane
SMILESC=COc1ccc([Si](OCC)(OCC)OCC)cc1.CCO[Si](Cc1cc(OC)cc(OC)c1)(OCC)OCC.CCO[Si](Cc1ccc(OC(C)(C)C)cc1)(OCC)OCC.CCO[Si](Cc1ccc(OC)cc1)(OCC)OCC.CCO[Si](Cc1ccc2c(c1)OCCO2)(OCC)OCC.CCOc1ccc(C[Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C17H30O4Si.C15H24O5Si.C15H26O5Si.C15H26O4Si.C14H24O4Si.C14H22O4Si/c1-7-18-22(19-8-2,20-9-3)14-15-10-12-16(13-11-15)21-17(4,5)6;1-4-18-21(19-5-2,20-6-3)12-13-7-8-14-15(11-13)17-10-9-16-14;1-6-18-21(19-7-2,20-8-3)12-13-9-14(16-4)11-15(10-13)17-5;1-5-16-15-11-9-14(10-12-15)13-20(17-6-2,18-7-3)19-8-4;1-5-16-19(17-6-2,18-7-3)12-13-8-10-14(15-4)11-9-13;1-5-15-13-9-11-14(12-10-13)19(16-6-2,17-7-3)18-8-4/h10-13H,7-9,14H2,1-6H3;7-8,11H,4-6,9-10,12H2,1-3H3;9-11H,6-8,12H2,1-5H3;9-12H,5-8,13H2,1-4H3;8-11H,5-7,12H2,1-4H3;5,9-12H,1,6-8H2,2-4H3
InChIKeyLUIJRHZEGGINPB-UHFFFAOYSA-N
MW1818.70 g/mol
LogP17.92
Rot. Bonds55

About 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane

2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane (PubChem CID 159458896) has the molecular formula C90H152O26Si6 and a molecular weight of 1818.70 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane
PubChem CID159458896
Molecular FormulaC90H152O26Si6
Molecular Weight1818.70 g/mol
Exact Mass1816.92
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane
SMILESC=COc1ccc([Si](OCC)(OCC)OCC)cc1.CCO[Si](Cc1cc(OC)cc(OC)c1)(OCC)OCC.CCO[Si](Cc1ccc(OC(C)(C)C)cc1)(OCC)OCC.CCO[Si](Cc1ccc(OC)cc1)(OCC)OCC.CCO[Si](Cc1ccc2c(c1)OCCO2)(OCC)OCC.CCOc1ccc(C[Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C17H30O4Si.C15H24O5Si.C15H26O5Si.C15H26O4Si.C14H24O4Si.C14H22O4Si/c1-7-18-22(19-8-2,20-9-3)14-15-10-12-16(13-11-15)21-17(4,5)6;1-4-18-21(19-5-2,20-6-3)12-13-7-8-14-15(11-13)17-10-9-16-14;1-6-18-21(19-7-2,20-8-3)12-13-9-14(16-4)11-15(10-13)17-5;1-5-16-15-11-9-14(10-12-15)13-20(17-6-2,18-7-3)19-8-4;1-5-16-19(17-6-2,18-7-3)12-13-8-10-14(15-4)11-9-13;1-5-15-13-9-11-14(12-10-13)19(16-6-2,17-7-3)18-8-4/h10-13H,7-9,14H2,1-6H3;7-8,11H,4-6,9-10,12H2,1-3H3;9-11H,6-8,12H2,1-5H3;9-12H,5-8,13H2,1-4H3;8-11H,5-7,12H2,1-4H3;5,9-12H,1,6-8H2,2-4H3
InChIKeyLUIJRHZEGGINPB-UHFFFAOYSA-N
XLogP17.92
TPSA239.98 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds55
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001818.70
LogP ≤ 517.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane with MolForge

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Related Compounds

tert-butyl [4-(triethoxysilylmethyl)phenyl] carbonate;tert-butyl (4-triethoxysilylphenyl) carbonate;[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate;2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(3,5-dimethoxyphenyl)-triethoxysilane;(4-ethenoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;trichloro-[[4-(oxan-2-yloxy)phenyl]methyl]silane;triethoxy-(4-ethoxyphenyl)silane;triethoxy-[4-(1-methoxyethoxy)phenyl]silane;triethoxy-[[4-(methoxymethoxy)phenyl]methyl]silane;triethoxy-[4-(methoxymethoxy)phenyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-(4-methoxyphenyl)silane;triethoxy-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane;triethoxy-[4-(oxan-2-yloxy)phenyl]silane;[4-(triethoxysilylmethyl)phenyl] acetate;(4-triethoxysilylphenyl) acetate
CID 159216915
2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane
CID 71105875
ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174706040
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17056681
triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate
CID 101395255
6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine
CID 141099911
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826
2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane;3-(4,5-dihydroimidazol-1-yl)propyl-tris(ethylperoxy)silane;(3,5-dimethoxyphenyl)-triethoxysilane;trichloro-[3-(4,5-dihydroimidazol-1-yl)propyl]silane;triethoxy-[3-(4-ethylpiperazin-1-yl)propyl]silane;triethoxy-(4-methoxyphenyl)silane
CID 157448939
2-(1,3-benzodioxol-5-yl)-N-[(3,5-dimethoxyphenyl)methyl]-N-[(4-ethoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477718
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 26710403
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 41226142

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane (CID 159458896) is 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane is C=COc1ccc([Si](OCC)(OCC)OCC)cc1.CCO[Si](Cc1cc(OC)cc(OC)c1)(OCC)OCC.CCO[Si](Cc1ccc(OC(C)(C)C)cc1)(OCC)OCC.CCO[Si](Cc1ccc(OC)cc1)(OCC)OCC.CCO[Si](Cc1ccc2c(c1)OCCO2)(OCC)OCC.CCOc1ccc(C[Si](OCC)(OCC)OCC)cc1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane?
The InChIKey is LUIJRHZEGGINPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si.C15H24O5Si.C15H26O5Si.C15H26O4Si.C14H24O4Si.C14H22O4Si/c1-7-18-22(19-8-2,20-9-3)14-15-10-12-16(13-11-15)21-17(4,5)6;1-4-18-21(19-5-2,20-6-3)12-13-7-8-14-15(11-13)17-10-9-16-14;1-6-18-21(19-7-2,20-8-3)12-13-9-14(16-4)11-15(10-13)17-5;1-5-16-15-11-9-14(10-12-15)13-20(17-6-2,18-7-3)19-8-4;1-5-16-19(17-6-2,18-7-3)12-13-8-10-14(15-4)11-9-13;1-5-15-13-9-11-14(12-10-13)19(16-6-2,17-7-3)18-8-4/h10-13H,7-9,14H2,1-6H3;7-8,11H,4-6,9-10,12H2,1-3H3;9-11H,6-8,12H2,1-5H3;9-12H,5-8,13H2,1-4H3;8-11H,5-7,12H2,1-4H3;5,9-12H,1,6-8H2,2-4H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane?
2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane has a molecular weight of 1818.70 g/mol, XLogP of 17.92, 55 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(triethoxy)silane;(3,5-dimethoxyphenyl)methyl-triethoxysilane;(4-ethenoxyphenyl)-triethoxysilane;triethoxy-[(4-ethoxyphenyl)methyl]silane;triethoxy-[(4-methoxyphenyl)methyl]silane;triethoxy-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]silane is sourced from PubChem (CID 159458896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).