4-[tris(1-methoxyethoxy)silyl]butane-2-thiol

C13H30O6SSi — CID 22156050

IUPAC4-[tris(1-methoxyethoxy)silyl]butane-2-thiol
SMILESCOC(C)O[Si](CCC(C)S)(OC(C)OC)OC(C)OC
InChIInChI=1S/C13H30O6SSi/c1-10(20)8-9-21(17-11(2)14-5,18-12(3)15-6)19-13(4)16-7/h10-13,20H,8-9H2,1-7H3
InChIKeyHFGXTYMQJIWWAJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP2.66
Rot. Bonds12

About 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol

4-[tris(1-methoxyethoxy)silyl]butane-2-thiol (PubChem CID 22156050) has the molecular formula C13H30O6SSi and a molecular weight of 342.53 g/mol. Its IUPAC name is 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol.

Molecular Properties

Compound Name4-[tris(1-methoxyethoxy)silyl]butane-2-thiol
PubChem CID22156050
Molecular FormulaC13H30O6SSi
Molecular Weight342.53 g/mol
Exact Mass342.15
IUPAC Name4-[tris(1-methoxyethoxy)silyl]butane-2-thiol
SMILESCOC(C)O[Si](CCC(C)S)(OC(C)OC)OC(C)OC
InChIInChI=1S/C13H30O6SSi/c1-10(20)8-9-21(17-11(2)14-5,18-12(3)15-6)19-13(4)16-7/h10-13,20H,8-9H2,1-7H3
InChIKeyHFGXTYMQJIWWAJ-UHFFFAOYSA-N
XLogP2.66
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol 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 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol?
The IUPAC name of 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol (CID 22156050) is 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol.
What is the SMILES notation for 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol?
The canonical SMILES for 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol is COC(C)O[Si](CCC(C)S)(OC(C)OC)OC(C)OC.
What is the InChIKey of 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol?
The InChIKey is HFGXTYMQJIWWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O6SSi/c1-10(20)8-9-21(17-11(2)14-5,18-12(3)15-6)19-13(4)16-7/h10-13,20H,8-9H2,1-7H3.
What are the key properties of 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol?
4-[tris(1-methoxyethoxy)silyl]butane-2-thiol has a molecular weight of 342.53 g/mol, XLogP of 2.66, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tris(1-methoxyethoxy)silyl]butane-2-thiol is sourced from PubChem (CID 22156050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).