3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane

C17H37BrO3SSi — CID 102318715

IUPAC3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane
SMILESCO[Si](CCCSCCCCCCCCCCCBr)(OC)OC
InChIInChI=1S/C17H37BrO3SSi/c1-19-23(20-2,21-3)17-13-16-22-15-12-10-8-6-4-5-7-9-11-14-18/h4-17H2,1-3H3
InChIKeyGGJCPUJMCYCMSW-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.89
Rot. Bonds18

About 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane

3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane (PubChem CID 102318715) has the molecular formula C17H37BrO3SSi and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane
PubChem CID102318715
Molecular FormulaC17H37BrO3SSi
Molecular Weight429.54 g/mol
Exact Mass428.14
IUPAC Name3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane
SMILESCO[Si](CCCSCCCCCCCCCCCBr)(OC)OC
InChIInChI=1S/C17H37BrO3SSi/c1-19-23(20-2,21-3)17-13-16-22-15-12-10-8-6-4-5-7-9-11-14-18/h4-17H2,1-3H3
InChIKeyGGJCPUJMCYCMSW-UHFFFAOYSA-N
XLogP5.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

25-bromopentacosyl(trimethoxy)silane
CID 87680868
22-bromodocosyl(trimethoxy)silane
CID 87682578
4-bromobutyl(trimethoxy)silane
CID 15433593
2-hexylsulfanylethyl(trimethoxy)silane
CID 159878767
1-bromo-8-hexylsulfanyloctane
CID 19830738
trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
CID 87873145
bis(2-butylsulfanylethyl)-bis[2-(3-trimethoxysilylpropylsulfanyl)ethyl]silane
CID 159584863
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
1-bromo-4-propylsulfanylbutane
CID 43445847
5-(6-bromohexylsulfanyl)pentan-1-ol
CID 142704924
trimethoxy(3-silylsulfanylpropyl)silane
CID 123801748
triethoxy(3-undecylsulfanylpropyl)silane
CID 173288680

Frequently Asked Questions

What is the IUPAC name of 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane?
The IUPAC name of 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane (CID 102318715) is 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane.
What is the SMILES notation for 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane?
The canonical SMILES for 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane is CO[Si](CCCSCCCCCCCCCCCBr)(OC)OC.
What is the InChIKey of 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane?
The InChIKey is GGJCPUJMCYCMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37BrO3SSi/c1-19-23(20-2,21-3)17-13-16-22-15-12-10-8-6-4-5-7-9-11-14-18/h4-17H2,1-3H3.
What are the key properties of 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane?
3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane has a molecular weight of 429.54 g/mol, XLogP of 5.89, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane is sourced from PubChem (CID 102318715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).