ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol

C24H60O9S2Si3 — CID 174907219

IUPACethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol
SMILESC=C[Si](OC)(OC)OC.C=C[Si](OCC)(OCC)OCC.CC.CCCS.CO[Si](CCCS)(OC)OC
InChIInChI=1S/C8H18O3Si.C6H16O3SSi.C5H12O3Si.C3H8S.C2H6/c1-5-9-12(8-4,10-6-2)11-7-3;1-7-11(8-2,9-3)6-4-5-10;1-5-9(6-2,7-3)8-4;1-2-3-4;1-2/h8H,4-7H2,1-3H3;10H,4-6H2,1-3H3;5H,1H2,2-4H3;4H,2-3H2,1H3;1-2H3
InChIKeyOSNRJVMHPIEBHJ-UHFFFAOYSA-N
MW641.13 g/mol
LogP5.89
Rot. Bonds18

About ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol

ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol (PubChem CID 174907219) has the molecular formula C24H60O9S2Si3 and a molecular weight of 641.13 g/mol. Its IUPAC name is ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Nameethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol
PubChem CID174907219
Molecular FormulaC24H60O9S2Si3
Molecular Weight641.13 g/mol
Exact Mass640.30
IUPAC Nameethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol
SMILESC=C[Si](OC)(OC)OC.C=C[Si](OCC)(OCC)OCC.CC.CCCS.CO[Si](CCCS)(OC)OC
InChIInChI=1S/C8H18O3Si.C6H16O3SSi.C5H12O3Si.C3H8S.C2H6/c1-5-9-12(8-4,10-6-2)11-7-3;1-7-11(8-2,9-3)6-4-5-10;1-5-9(6-2,7-3)8-4;1-2-3-4;1-2/h8H,4-7H2,1-3H3;10H,4-6H2,1-3H3;5H,1H2,2-4H3;4H,2-3H2,1H3;1-2H3
InChIKeyOSNRJVMHPIEBHJ-UHFFFAOYSA-N
XLogP5.89
TPSA83.07 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500641.13
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane
CID 174821163
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
ethenyl(triethoxy)silane;platinum
CID 159730516
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
sodium;ethenyl(triethoxy)silane;hydride
CID 173302645
CID 176893127
CID 176893127
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
CID 88614402
triethoxy(4-methylidenehex-5-enyl)silane;trimethoxy(4-methylidenehex-5-enyl)silane
CID 161411840

Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol?
The IUPAC name of ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol (CID 174907219) is ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol is C=C[Si](OC)(OC)OC.C=C[Si](OCC)(OCC)OCC.CC.CCCS.CO[Si](CCCS)(OC)OC.
What is the InChIKey of ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol?
The InChIKey is OSNRJVMHPIEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si.C6H16O3SSi.C5H12O3Si.C3H8S.C2H6/c1-5-9-12(8-4,10-6-2)11-7-3;1-7-11(8-2,9-3)6-4-5-10;1-5-9(6-2,7-3)8-4;1-2-3-4;1-2/h8H,4-7H2,1-3H3;10H,4-6H2,1-3H3;5H,1H2,2-4H3;4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol?
ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol has a molecular weight of 641.13 g/mol, XLogP of 5.89, 18 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 174907219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).