3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol

C16H40O6SSi2 — CID 172805791

IUPAC3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol
SMILESCCO[Si](CCCCO)(OCC)OCC.COC(OC)[SiH2]CCCS
InChIInChI=1S/C10H24O4Si.C6H16O2SSi/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11;1-7-6(8-2)10-5-3-4-9/h11H,4-10H2,1-3H3;6,9H,3-5,10H2,1-2H3
InChIKeyRMKJSLASCHDXDC-UHFFFAOYSA-N
MW416.73 g/mol
LogP2.28
Rot. Bonds16

About 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol

3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol (PubChem CID 172805791) has the molecular formula C16H40O6SSi2 and a molecular weight of 416.73 g/mol. Its IUPAC name is 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol.

Molecular Properties

Compound Name3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol
PubChem CID172805791
Molecular FormulaC16H40O6SSi2
Molecular Weight416.73 g/mol
Exact Mass416.21
IUPAC Name3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol
SMILESCCO[Si](CCCCO)(OCC)OCC.COC(OC)[SiH2]CCCS
InChIInChI=1S/C10H24O4Si.C6H16O2SSi/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11;1-7-6(8-2)10-5-3-4-9/h11H,4-10H2,1-3H3;6,9H,3-5,10H2,1-2H3
InChIKeyRMKJSLASCHDXDC-UHFFFAOYSA-N
XLogP2.28
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.73
LogP ≤ 52.28
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'}

Analyze 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol?
The IUPAC name of 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol (CID 172805791) is 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol.
What is the SMILES notation for 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol?
The canonical SMILES for 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol is CCO[Si](CCCCO)(OCC)OCC.COC(OC)[SiH2]CCCS.
What is the InChIKey of 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol?
The InChIKey is RMKJSLASCHDXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O4Si.C6H16O2SSi/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11;1-7-6(8-2)10-5-3-4-9/h11H,4-10H2,1-3H3;6,9H,3-5,10H2,1-2H3.
What are the key properties of 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol?
3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol has a molecular weight of 416.73 g/mol, XLogP of 2.28, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethylsilyl)propane-1-thiol;4-triethoxysilylbutan-1-ol is sourced from PubChem (CID 172805791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).