O-methyl 2-triethoxysilylpropanethioate

C10H22O4SSi — CID 141147284

IUPACO-methyl 2-triethoxysilylpropanethioate
SMILESCCO[Si](OCC)(OCC)C(C)C(=S)OC
InChIInChI=1S/C10H22O4SSi/c1-6-12-16(13-7-2,14-8-3)9(4)10(15)11-5/h9H,6-8H2,1-5H3
InChIKeyYMMSUFSCNGEENE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.40
Rot. Bonds8

About O-methyl 2-triethoxysilylpropanethioate

O-methyl 2-triethoxysilylpropanethioate (PubChem CID 141147284) has the molecular formula C10H22O4SSi and a molecular weight of 266.43 g/mol. Its IUPAC name is O-methyl 2-triethoxysilylpropanethioate.

Molecular Properties

Compound NameO-methyl 2-triethoxysilylpropanethioate
PubChem CID141147284
Molecular FormulaC10H22O4SSi
Molecular Weight266.43 g/mol
Exact Mass266.10
IUPAC NameO-methyl 2-triethoxysilylpropanethioate
SMILESCCO[Si](OCC)(OCC)C(C)C(=S)OC
InChIInChI=1S/C10H22O4SSi/c1-6-12-16(13-7-2,14-8-3)9(4)10(15)11-5/h9H,6-8H2,1-5H3
InChIKeyYMMSUFSCNGEENE-UHFFFAOYSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-methyl 2-triethoxysilylpropanethioate?
The IUPAC name of O-methyl 2-triethoxysilylpropanethioate (CID 141147284) is O-methyl 2-triethoxysilylpropanethioate.
What is the SMILES notation for O-methyl 2-triethoxysilylpropanethioate?
The canonical SMILES for O-methyl 2-triethoxysilylpropanethioate is CCO[Si](OCC)(OCC)C(C)C(=S)OC.
What is the InChIKey of O-methyl 2-triethoxysilylpropanethioate?
The InChIKey is YMMSUFSCNGEENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4SSi/c1-6-12-16(13-7-2,14-8-3)9(4)10(15)11-5/h9H,6-8H2,1-5H3.
What are the key properties of O-methyl 2-triethoxysilylpropanethioate?
O-methyl 2-triethoxysilylpropanethioate has a molecular weight of 266.43 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl 2-triethoxysilylpropanethioate is sourced from PubChem (CID 141147284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).