4-(2,2-dimethoxyethoxysilyl)butane-1-thiol

C8H20O3SSi — CID 154430039

IUPAC4-(2,2-dimethoxyethoxysilyl)butane-1-thiol
SMILESCOC(CO[SiH2]CCCCS)OC
InChIInChI=1S/C8H20O3SSi/c1-9-8(10-2)7-11-13-6-4-3-5-12/h8,12H,3-7,13H2,1-2H3
InChIKeyXHAQMECHRHFMLO-UHFFFAOYSA-N
MW224.40 g/mol
LogP0.83
Rot. Bonds9

About 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol

4-(2,2-dimethoxyethoxysilyl)butane-1-thiol (PubChem CID 154430039) has the molecular formula C8H20O3SSi and a molecular weight of 224.40 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol.

Molecular Properties

Compound Name4-(2,2-dimethoxyethoxysilyl)butane-1-thiol
PubChem CID154430039
Molecular FormulaC8H20O3SSi
Molecular Weight224.40 g/mol
Exact Mass224.09
IUPAC Name4-(2,2-dimethoxyethoxysilyl)butane-1-thiol
SMILESCOC(CO[SiH2]CCCCS)OC
InChIInChI=1S/C8H20O3SSi/c1-9-8(10-2)7-11-13-6-4-3-5-12/h8,12H,3-7,13H2,1-2H3
InChIKeyXHAQMECHRHFMLO-UHFFFAOYSA-N
XLogP0.83
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2-decylsilyloxy-1-trimethylsilyloxyethoxy)-trimethylsilane
CID 154143933
2-(2,2-dimethoxyethoxysilyl)ethyl 2-methylprop-2-enoate
CID 154483341
triethyl-(2-hexylsilyloxy-1-triethylsilyloxyethoxy)silane
CID 154133204
2,2-dimethoxyethoxy(isocyanatomethyl)silane
CID 154365360
3-(diethoxymethoxymethoxysilyl)propane-1-thiol
CID 172693779
1,2-dimethoxyethoxy(undecyl)silane
CID 174052564
3-hydroxysilyloxysilylpropane-1-thiol
CID 123377312
3,3-dimethoxypropyl-[3-(3,3-dimethoxypropylsilyl)propyl]silane
CID 123145212
N,N'-bis[3-(4,4-dimethoxybutoxysilyl)propyl]-N,N'-bis(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 172780147
dec-9-enyl(1,2-dimethoxyethoxy)silane
CID 123848895
2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate
CID 131726685
2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane
CID 154440839

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol?
The IUPAC name of 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol (CID 154430039) is 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol.
What is the SMILES notation for 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol?
The canonical SMILES for 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol is COC(CO[SiH2]CCCCS)OC.
What is the InChIKey of 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol?
The InChIKey is XHAQMECHRHFMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3SSi/c1-9-8(10-2)7-11-13-6-4-3-5-12/h8,12H,3-7,13H2,1-2H3.
What are the key properties of 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol?
4-(2,2-dimethoxyethoxysilyl)butane-1-thiol has a molecular weight of 224.40 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethoxysilyl)butane-1-thiol is sourced from PubChem (CID 154430039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).