mercaptopropyldiethoxymethylsilane

C8H18O2SSi — CID 53425327

IUPAC—
SMILESCCOC(OCC)[Si]CCCS
InChIInChI=1S/C8H18O2SSi/c1-3-9-8(10-4-2)12-7-5-6-11/h8,11H,3-7H2,1-2H3
InChIKeyKWZPCURQZRPCJA-UHFFFAOYSA-N
MW206.38 g/mol
LogP1.79
Rot. Bonds8

About mercaptopropyldiethoxymethylsilane

mercaptopropyldiethoxymethylsilane (PubChem CID 53425327) has the molecular formula C8H18O2SSi and a molecular weight of 206.38 g/mol.

Molecular Properties

Compound Namemercaptopropyldiethoxymethylsilane
PubChem CID53425327
Molecular FormulaC8H18O2SSi
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name—
SMILESCCOC(OCC)[Si]CCCS
InChIInChI=1S/C8H18O2SSi/c1-3-9-8(10-4-2)12-7-5-6-11/h8,11H,3-7H2,1-2H3
InChIKeyKWZPCURQZRPCJA-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

CID 87098693
CID 87098693
CID 67239930
CID 67239930
CID 164851800
CID 164851800
CID 87144868
CID 87144868
CID 154638047
CID 154638047
CID 170637664
CID 170637664
CID 168908388
CID 168908388
(Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 138396238
CID 162696886
CID 162696886
chlorodiethoxymethylsilane
CID 18330713
CID 87404754
CID 87404754
CID 20836247
CID 20836247

Frequently Asked Questions

What is the IUPAC name of mercaptopropyldiethoxymethylsilane?
The IUPAC name of mercaptopropyldiethoxymethylsilane (CID 53425327) is not available.
What is the SMILES notation for mercaptopropyldiethoxymethylsilane?
The canonical SMILES for mercaptopropyldiethoxymethylsilane is CCOC(OCC)[Si]CCCS.
What is the InChIKey of mercaptopropyldiethoxymethylsilane?
The InChIKey is KWZPCURQZRPCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2SSi/c1-3-9-8(10-4-2)12-7-5-6-11/h8,11H,3-7H2,1-2H3.
What are the key properties of mercaptopropyldiethoxymethylsilane?
mercaptopropyldiethoxymethylsilane has a molecular weight of 206.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for mercaptopropyldiethoxymethylsilane is sourced from PubChem (CID 53425327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).