2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid

C7H14O2SSi — CID 88759743

IUPAC2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid
SMILESC=C[Si](C)(C)C(C)(S)C(=O)O
InChIInChI=1S/C7H14O2SSi/c1-5-11(3,4)7(2,10)6(8)9/h5,10H,1H2,2-4H3,(H,8,9)
InChIKeyNRDQKUPQQMUSHX-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.73
Rot. Bonds3

About 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid

2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid (PubChem CID 88759743) has the molecular formula C7H14O2SSi and a molecular weight of 190.34 g/mol. Its IUPAC name is 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid
PubChem CID88759743
Molecular FormulaC7H14O2SSi
Molecular Weight190.34 g/mol
Exact Mass190.05
IUPAC Name2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid
SMILESC=C[Si](C)(C)C(C)(S)C(=O)O
InChIInChI=1S/C7H14O2SSi/c1-5-11(3,4)7(2,10)6(8)9/h5,10H,1H2,2-4H3,(H,8,9)
InChIKeyNRDQKUPQQMUSHX-UHFFFAOYSA-N
XLogP1.73
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid 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 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid?
The IUPAC name of 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid (CID 88759743) is 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid.
What is the SMILES notation for 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid?
The canonical SMILES for 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid is C=C[Si](C)(C)C(C)(S)C(=O)O.
What is the InChIKey of 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid?
The InChIKey is NRDQKUPQQMUSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2SSi/c1-5-11(3,4)7(2,10)6(8)9/h5,10H,1H2,2-4H3,(H,8,9).
What are the key properties of 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid?
2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid has a molecular weight of 190.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl(dimethyl)silyl]-2-sulfanylpropanoic acid is sourced from PubChem (CID 88759743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).