ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol

C45H104O15S14Si5 — CID 160519759

IUPACethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
SMILESC=C[Si](OC)(OC)OC.CO[Si](CO)(CO)CCSCCSC(CSCC[Si](CO)(OC)OC)CSCC(CSCC[Si](CO)(OC)OC)SCCSCC[Si](OC)(OC)OC.SCCSC(CS)CSCC(CS)SCCS
InChIInChI=1S/C30H70O12S7Si4.C10H22S7.C5H12O3Si/c1-35-50(25-31,26-32)17-13-43-9-11-48-29(21-45-14-18-51(27-33,36-2)37-3)23-47-24-30(22-46-15-19-52(28-34,38-4)39-5)49-12-10-44-16-20-53(40-6,41-7)42-8;11-1-3-16-9(5-13)7-15-8-10(6-14)17-4-2-12;1-5-9(6-2,7-3)8-4/h29-34H,9-28H2,1-8H3;9-14H,1-8H2;5H,1H2,2-4H3
InChIKeyQUCSFCCGHFABEQ-UHFFFAOYSA-N
MW1474.68 g/mol
LogP8.15
Rot. Bonds56

About ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol

ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol (PubChem CID 160519759) has the molecular formula C45H104O15S14Si5 and a molecular weight of 1474.68 g/mol. Its IUPAC name is ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol.

Molecular Properties

Compound Nameethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
PubChem CID160519759
Molecular FormulaC45H104O15S14Si5
Molecular Weight1474.68 g/mol
Exact Mass1472.23
IUPAC Nameethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
SMILESC=C[Si](OC)(OC)OC.CO[Si](CO)(CO)CCSCCSC(CSCC[Si](CO)(OC)OC)CSCC(CSCC[Si](CO)(OC)OC)SCCSCC[Si](OC)(OC)OC.SCCSC(CS)CSCC(CS)SCCS
InChIInChI=1S/C30H70O12S7Si4.C10H22S7.C5H12O3Si/c1-35-50(25-31,26-32)17-13-43-9-11-48-29(21-45-14-18-51(27-33,36-2)37-3)23-47-24-30(22-46-15-19-52(28-34,38-4)39-5)49-12-10-44-16-20-53(40-6,41-7)42-8;11-1-3-16-9(5-13)7-15-8-10(6-14)17-4-2-12;1-5-9(6-2,7-3)8-4/h29-34H,9-28H2,1-8H3;9-14H,1-8H2;5H,1H2,2-4H3
InChIKeyQUCSFCCGHFABEQ-UHFFFAOYSA-N
XLogP8.15
TPSA182.45 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds56
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001474.68
LogP ≤ 58.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol?
The IUPAC name of ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol (CID 160519759) is ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol.
What is the SMILES notation for ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol?
The canonical SMILES for ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol is C=C[Si](OC)(OC)OC.CO[Si](CO)(CO)CCSCCSC(CSCC[Si](CO)(OC)OC)CSCC(CSCC[Si](CO)(OC)OC)SCCSCC[Si](OC)(OC)OC.SCCSC(CS)CSCC(CS)SCCS.
What is the InChIKey of ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol?
The InChIKey is QUCSFCCGHFABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70O12S7Si4.C10H22S7.C5H12O3Si/c1-35-50(25-31,26-32)17-13-43-9-11-48-29(21-45-14-18-51(27-33,36-2)37-3)23-47-24-30(22-46-15-19-52(28-34,38-4)39-5)49-12-10-44-16-20-53(40-6,41-7)42-8;11-1-3-16-9(5-13)7-15-8-10(6-14)17-4-2-12;1-5-9(6-2,7-3)8-4/h29-34H,9-28H2,1-8H3;9-14H,1-8H2;5H,1H2,2-4H3.
What are the key properties of ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol?
ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol has a molecular weight of 1474.68 g/mol, XLogP of 8.15, 56 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol is sourced from PubChem (CID 160519759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).