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

C74H139Cl3N6O23Si6 — CID 157448939

IUPAC2,3-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
SMILESCCOO[Si](CCCN1C=NCC1)(OOCC)OOCC.CCO[Si](CCCN1CCN(CC)CC1)(OCC)OCC.CCO[Si](OCC)(OCC)c1cc(OC)cc(OC)c1.CCO[Si](OCC)(OCC)c1ccc(OC)cc1.CCO[Si](OCC)(OCC)c1ccc2c(c1)OCCO2.Cl[Si](Cl)(Cl)CCCN1C=NCC1
InChIInChI=1S/C15H34N2O3Si.C14H22O5Si.C14H24O5Si.C13H22O4Si.C12H26N2O6Si.C6H11Cl3N2Si/c1-5-16-11-13-17(14-12-16)10-9-15-21(18-6-2,19-7-3)20-8-4;1-4-17-20(18-5-2,19-6-3)12-7-8-13-14(11-12)16-10-9-15-13;1-6-17-20(18-7-2,19-8-3)14-10-12(15-4)9-13(11-14)16-5;1-5-15-18(16-6-2,17-7-3)13-10-8-12(14-4)9-11-13;1-4-15-18-21(19-16-5-2,20-17-6-3)11-7-9-14-10-8-13-12-14;7-12(8,9)5-1-3-11-4-2-10-6-11/h5-15H2,1-4H3;7-8,11H,4-6,9-10H2,1-3H3;9-11H,6-8H2,1-5H3;8-11H,5-7H2,1-4H3;12H,4-11H2,1-3H3;6H,1-5H2
InChIKeyBSOGYGFHQRVOQG-UHFFFAOYSA-N
MW1755.82 g/mol
LogP11.62
Rot. Bonds52

About 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

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 (PubChem CID 157448939) has the molecular formula C74H139Cl3N6O23Si6 and a molecular weight of 1755.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,3-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
PubChem CID157448939
Molecular FormulaC74H139Cl3N6O23Si6
Molecular Weight1755.82 g/mol
Exact Mass1752.76
IUPAC Name2,3-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
SMILESCCOO[Si](CCCN1C=NCC1)(OOCC)OOCC.CCO[Si](CCCN1CCN(CC)CC1)(OCC)OCC.CCO[Si](OCC)(OCC)c1cc(OC)cc(OC)c1.CCO[Si](OCC)(OCC)c1ccc(OC)cc1.CCO[Si](OCC)(OCC)c1ccc2c(c1)OCCO2.Cl[Si](Cl)(Cl)CCCN1C=NCC1
InChIInChI=1S/C15H34N2O3Si.C14H22O5Si.C14H24O5Si.C13H22O4Si.C12H26N2O6Si.C6H11Cl3N2Si/c1-5-16-11-13-17(14-12-16)10-9-15-21(18-6-2,19-7-3)20-8-4;1-4-17-20(18-5-2,19-6-3)12-7-8-13-14(11-12)16-10-9-15-13;1-6-17-20(18-7-2,19-8-3)14-10-12(15-4)9-13(11-14)16-5;1-5-15-18(16-6-2,17-7-3)13-10-8-12(14-4)9-11-13;1-4-15-18-21(19-16-5-2,20-17-6-3)11-7-9-14-10-8-13-12-14;7-12(8,9)5-1-3-11-4-2-10-6-11/h5-15H2,1-4H3;7-8,11H,4-6,9-10H2,1-3H3;9-11H,6-8H2,1-5H3;8-11H,5-7H2,1-4H3;12H,4-11H2,1-3H3;6H,1-5H2
InChIKeyBSOGYGFHQRVOQG-UHFFFAOYSA-N
XLogP11.62
TPSA249.97 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds52
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001755.82
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOO[Si](CCCN1C=NCC1)(OOCC)OOCC.CCO[Si](CCCN1CCN(CC)CC1)(OCC)OCC.CCO[Si](OCC)(OCC)c1cc(OC)cc(OC)c1.CCO[Si](OCC)(OCC)c1ccc(OC)cc1.CCO[Si](OCC)(OCC)c1ccc2c(c1)OCCO2.Cl[Si](Cl)(Cl)CCCN1C=NCC1.
What is the InChIKey of 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?
The InChIKey is BSOGYGFHQRVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O3Si.C14H22O5Si.C14H24O5Si.C13H22O4Si.C12H26N2O6Si.C6H11Cl3N2Si/c1-5-16-11-13-17(14-12-16)10-9-15-21(18-6-2,19-7-3)20-8-4;1-4-17-20(18-5-2,19-6-3)12-7-8-13-14(11-12)16-10-9-15-13;1-6-17-20(18-7-2,19-8-3)14-10-12(15-4)9-13(11-14)16-5;1-5-15-18(16-6-2,17-7-3)13-10-8-12(14-4)9-11-13;1-4-15-18-21(19-16-5-2,20-17-6-3)11-7-9-14-10-8-13-12-14;7-12(8,9)5-1-3-11-4-2-10-6-11/h5-15H2,1-4H3;7-8,11H,4-6,9-10H2,1-3H3;9-11H,6-8H2,1-5H3;8-11H,5-7H2,1-4H3;12H,4-11H2,1-3H3;6H,1-5H2.
What are the key properties of 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?
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 has a molecular weight of 1755.82 g/mol, XLogP of 11.62, 52 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157448939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).