5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol

C14H34O5S2Si — CID 157162585

IUPAC5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol
SMILESCOC(C)(CCCCS)OC.CO[Si](CCCS)(OC)OC
InChIInChI=1S/C8H18O2S.C6H16O3SSi/c1-8(9-2,10-3)6-4-5-7-11;1-7-11(8-2,9-3)6-4-5-10/h11H,4-7H2,1-3H3;10H,4-6H2,1-3H3
InChIKeyAMNVINVVGXPJOM-UHFFFAOYSA-N
MW374.64 g/mol
LogP3.28
Rot. Bonds12

About 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol

5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol (PubChem CID 157162585) has the molecular formula C14H34O5S2Si and a molecular weight of 374.64 g/mol. Its IUPAC name is 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Name5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol
PubChem CID157162585
Molecular FormulaC14H34O5S2Si
Molecular Weight374.64 g/mol
Exact Mass374.16
IUPAC Name5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol
SMILESCOC(C)(CCCCS)OC.CO[Si](CCCS)(OC)OC
InChIInChI=1S/C8H18O2S.C6H16O3SSi/c1-8(9-2,10-3)6-4-5-7-11;1-7-11(8-2,9-3)6-4-5-10/h11H,4-7H2,1-3H3;10H,4-6H2,1-3H3
InChIKeyAMNVINVVGXPJOM-UHFFFAOYSA-N
XLogP3.28
TPSA46.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
CID 88693959
tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol
CID 167567175
4-[3-isocyanatopropyl(dimethoxy)silyl]oxybutane-1-thiol
CID 150585258
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
9,9-dimethyldecane-1-thiol
CID 522495
3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
CID 86093563

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol?
The IUPAC name of 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol (CID 157162585) is 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol is COC(C)(CCCCS)OC.CO[Si](CCCS)(OC)OC.
What is the InChIKey of 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol?
The InChIKey is AMNVINVVGXPJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S.C6H16O3SSi/c1-8(9-2,10-3)6-4-5-7-11;1-7-11(8-2,9-3)6-4-5-10/h11H,4-7H2,1-3H3;10H,4-6H2,1-3H3.
What are the key properties of 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol?
5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol has a molecular weight of 374.64 g/mol, XLogP of 3.28, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 157162585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).