3-(diethoxymethoxymethoxysilyl)propane-1-thiol

C9H22O4SSi — CID 172693779

IUPAC3-(diethoxymethoxymethoxysilyl)propane-1-thiol
SMILESCCOC(OCC)OCO[SiH2]CCCS
InChIInChI=1S/C9H22O4SSi/c1-3-10-9(11-4-2)12-8-13-15-7-5-6-14/h9,14H,3-8,15H2,1-2H3
InChIKeyCARIDUOOGRDESV-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.16
Rot. Bonds11

About 3-(diethoxymethoxymethoxysilyl)propane-1-thiol

3-(diethoxymethoxymethoxysilyl)propane-1-thiol (PubChem CID 172693779) has the molecular formula C9H22O4SSi and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(diethoxymethoxymethoxysilyl)propane-1-thiol.

Molecular Properties

Compound Name3-(diethoxymethoxymethoxysilyl)propane-1-thiol
PubChem CID172693779
Molecular FormulaC9H22O4SSi
Molecular Weight254.42 g/mol
Exact Mass254.10
IUPAC Name3-(diethoxymethoxymethoxysilyl)propane-1-thiol
SMILESCCOC(OCC)OCO[SiH2]CCCS
InChIInChI=1S/C9H22O4SSi/c1-3-10-9(11-4-2)12-8-13-15-7-5-6-14/h9,14H,3-8,15H2,1-2H3
InChIKeyCARIDUOOGRDESV-UHFFFAOYSA-N
XLogP1.16
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(1,3-diethoxypropoxysilyl)propane-1-thiol
CID 175446121
4-(2,2-dimethoxyethoxysilyl)butane-1-thiol
CID 154430039
2-(diethoxymethoxysilyl)ethanamine
CID 123825582
ethoxy(4-methylpentyl)silane
CID 172827034
mercaptopropyldiethoxymethylsilane
CID 53425327
3-hydroxysilyloxysilylpropane-1-thiol
CID 123377312
ethoxy(hexyl)silane;hydrofluoride
CID 174883569
chloromethyl(diethoxymethoxy)silane
CID 172996461
[ethoxy(methoxy)methoxy]ethane
CID 20564684
2-(dipropoxymethoxysilyl)ethanethiol
CID 123916528
3-[bis(2-methylpropoxy)methylsilyl]propane-1-thiol
CID 123821142
diethoxymethyl dihydrogen phosphite
CID 18623123

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethoxymethoxysilyl)propane-1-thiol?
The IUPAC name of 3-(diethoxymethoxymethoxysilyl)propane-1-thiol (CID 172693779) is 3-(diethoxymethoxymethoxysilyl)propane-1-thiol.
What is the SMILES notation for 3-(diethoxymethoxymethoxysilyl)propane-1-thiol?
The canonical SMILES for 3-(diethoxymethoxymethoxysilyl)propane-1-thiol is CCOC(OCC)OCO[SiH2]CCCS.
What is the InChIKey of 3-(diethoxymethoxymethoxysilyl)propane-1-thiol?
The InChIKey is CARIDUOOGRDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4SSi/c1-3-10-9(11-4-2)12-8-13-15-7-5-6-14/h9,14H,3-8,15H2,1-2H3.
What are the key properties of 3-(diethoxymethoxymethoxysilyl)propane-1-thiol?
3-(diethoxymethoxymethoxysilyl)propane-1-thiol has a molecular weight of 254.42 g/mol, XLogP of 1.16, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethoxymethoxysilyl)propane-1-thiol is sourced from PubChem (CID 172693779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).