3-ethenylsulfanylpropyl-dimethoxy-methylsilane

C8H18O2SSi — CID 54090509

IUPAC3-ethenylsulfanylpropyl-dimethoxy-methylsilane
SMILESC=CSCCC[Si](C)(OC)OC
InChIInChI=1S/C8H18O2SSi/c1-5-11-7-6-8-12(4,9-2)10-3/h5H,1,6-8H2,2-4H3
InChIKeyMTNDDFVBWOOVAC-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.62
Rot. Bonds7

About 3-ethenylsulfanylpropyl-dimethoxy-methylsilane

3-ethenylsulfanylpropyl-dimethoxy-methylsilane (PubChem CID 54090509) has the molecular formula C8H18O2SSi and a molecular weight of 206.38 g/mol. Its IUPAC name is 3-ethenylsulfanylpropyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name3-ethenylsulfanylpropyl-dimethoxy-methylsilane
PubChem CID54090509
Molecular FormulaC8H18O2SSi
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name3-ethenylsulfanylpropyl-dimethoxy-methylsilane
SMILESC=CSCCC[Si](C)(OC)OC
InChIInChI=1S/C8H18O2SSi/c1-5-11-7-6-8-12(4,9-2)10-3/h5H,1,6-8H2,2-4H3
InChIKeyMTNDDFVBWOOVAC-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethenylsulfanylpropyl-dimethoxy-methylsilane 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-ethenylsulfanylpropyl-dimethoxy-methylsilane?
The IUPAC name of 3-ethenylsulfanylpropyl-dimethoxy-methylsilane (CID 54090509) is 3-ethenylsulfanylpropyl-dimethoxy-methylsilane.
What is the SMILES notation for 3-ethenylsulfanylpropyl-dimethoxy-methylsilane?
The canonical SMILES for 3-ethenylsulfanylpropyl-dimethoxy-methylsilane is C=CSCCC[Si](C)(OC)OC.
What is the InChIKey of 3-ethenylsulfanylpropyl-dimethoxy-methylsilane?
The InChIKey is MTNDDFVBWOOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2SSi/c1-5-11-7-6-8-12(4,9-2)10-3/h5H,1,6-8H2,2-4H3.
What are the key properties of 3-ethenylsulfanylpropyl-dimethoxy-methylsilane?
3-ethenylsulfanylpropyl-dimethoxy-methylsilane has a molecular weight of 206.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanylpropyl-dimethoxy-methylsilane is sourced from PubChem (CID 54090509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).