3-(butyldisulfanyl)propyl-trimethoxysilane

C10H24O3S2Si — CID 14765024

IUPAC3-(butyldisulfanyl)propyl-trimethoxysilane
SMILESCCCCSSCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3S2Si/c1-5-6-8-14-15-9-7-10-16(11-2,12-3)13-4/h5-10H2,1-4H3
InChIKeyUVLBGJKXVZJEGV-UHFFFAOYSA-N
MW284.52 g/mol
LogP3.44
Rot. Bonds11

About 3-(butyldisulfanyl)propyl-trimethoxysilane

3-(butyldisulfanyl)propyl-trimethoxysilane (PubChem CID 14765024) has the molecular formula C10H24O3S2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3-(butyldisulfanyl)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(butyldisulfanyl)propyl-trimethoxysilane
PubChem CID14765024
Molecular FormulaC10H24O3S2Si
Molecular Weight284.52 g/mol
Exact Mass284.09
IUPAC Name3-(butyldisulfanyl)propyl-trimethoxysilane
SMILESCCCCSSCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3S2Si/c1-5-6-8-14-15-9-7-10-16(11-2,12-3)13-4/h5-10H2,1-4H3
InChIKeyUVLBGJKXVZJEGV-UHFFFAOYSA-N
XLogP3.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
CID 87873145
bis(2-butylsulfanylethyl)-bis[2-(3-trimethoxysilylpropylsulfanyl)ethyl]silane
CID 159584863
azane;trimethoxy(pentyl)silane
CID 19608931
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy-[2-(2-trimethoxysilylethyldisulfanyl)ethyl]silane
CID 23263588
1-(butyldisulfanyl)butane;copper
CID 159977501
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013

Frequently Asked Questions

What is the IUPAC name of 3-(butyldisulfanyl)propyl-trimethoxysilane?
The IUPAC name of 3-(butyldisulfanyl)propyl-trimethoxysilane (CID 14765024) is 3-(butyldisulfanyl)propyl-trimethoxysilane.
What is the SMILES notation for 3-(butyldisulfanyl)propyl-trimethoxysilane?
The canonical SMILES for 3-(butyldisulfanyl)propyl-trimethoxysilane is CCCCSSCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-(butyldisulfanyl)propyl-trimethoxysilane?
The InChIKey is UVLBGJKXVZJEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3S2Si/c1-5-6-8-14-15-9-7-10-16(11-2,12-3)13-4/h5-10H2,1-4H3.
What are the key properties of 3-(butyldisulfanyl)propyl-trimethoxysilane?
3-(butyldisulfanyl)propyl-trimethoxysilane has a molecular weight of 284.52 g/mol, XLogP of 3.44, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butyldisulfanyl)propyl-trimethoxysilane is sourced from PubChem (CID 14765024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).