1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol

C13H30O6SSi — CID 149435492

IUPAC1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol
SMILESCOCCOC(S)CCC([SiH3])(OCCOC)OCCOC
InChIInChI=1S/C13H30O6SSi/c1-14-6-9-17-12(20)4-5-13(21,18-10-7-15-2)19-11-8-16-3/h12,20H,4-11H2,1-3,21H3
InChIKeyPUOXFRWBDQJWNM-UHFFFAOYSA-N
MW342.53 g/mol
LogP0.03
Rot. Bonds15

About 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol

1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol (PubChem CID 149435492) has the molecular formula C13H30O6SSi and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol.

Molecular Properties

Compound Name1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol
PubChem CID149435492
Molecular FormulaC13H30O6SSi
Molecular Weight342.53 g/mol
Exact Mass342.15
IUPAC Name1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol
SMILESCOCCOC(S)CCC([SiH3])(OCCOC)OCCOC
InChIInChI=1S/C13H30O6SSi/c1-14-6-9-17-12(20)4-5-13(21,18-10-7-15-2)19-11-8-16-3/h12,20H,4-11H2,1-3,21H3
InChIKeyPUOXFRWBDQJWNM-UHFFFAOYSA-N
XLogP0.03
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 50.03
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-bromo-2,3-bis(2-methoxyethoxy)butane
CID 140513966
1-methoxypentane-3-thiol
CID 21429489
1-(2-methoxyethoxy)propylsilane
CID 161372833
1-propoxypropane-1-thiol
CID 57215222
1,2-dimethoxyethane;samarium
CID 174304250
1,2-dimethoxyethane;ethane
CID 91349162
2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol
CID 23185217
sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride
CID 173166942
1,2-dimethoxyethane;tetrachloromethane
CID 88843586
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
1-methoxy-1-(2-methoxyethoxy)propane
CID 139725364
3-fluoro-1-methoxypentane
CID 159134850

Frequently Asked Questions

What is the IUPAC name of 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol?
The IUPAC name of 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol (CID 149435492) is 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol.
What is the SMILES notation for 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol?
The canonical SMILES for 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol is COCCOC(S)CCC([SiH3])(OCCOC)OCCOC.
What is the InChIKey of 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol?
The InChIKey is PUOXFRWBDQJWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O6SSi/c1-14-6-9-17-12(20)4-5-13(21,18-10-7-15-2)19-11-8-16-3/h12,20H,4-11H2,1-3,21H3.
What are the key properties of 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol?
1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol has a molecular weight of 342.53 g/mol, XLogP of 0.03, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-tris(2-methoxyethoxy)-4-silylbutane-1-thiol is sourced from PubChem (CID 149435492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).