(4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane

C12H20SSi — CID 174932900

IUPAC(4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane
SMILESC=CCc1c([Si](C)(C)C)sc(C)c1C
InChIInChI=1S/C12H20SSi/c1-7-8-11-9(2)10(3)13-12(11)14(4,5)6/h7H,1,8H2,2-6H3
InChIKeyDCLDRFDDIGNNEH-UHFFFAOYSA-N
MW224.44 g/mol
LogP3.64
Rot. Bonds3

About (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane

(4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane (PubChem CID 174932900) has the molecular formula C12H20SSi and a molecular weight of 224.44 g/mol. Its IUPAC name is (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane
PubChem CID174932900
Molecular FormulaC12H20SSi
Molecular Weight224.44 g/mol
Exact Mass224.11
IUPAC Name(4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane
SMILESC=CCc1c([Si](C)(C)C)sc(C)c1C
InChIInChI=1S/C12H20SSi/c1-7-8-11-9(2)10(3)13-12(11)14(4,5)6/h7H,1,8H2,2-6H3
InChIKeyDCLDRFDDIGNNEH-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane 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 (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane?
The IUPAC name of (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane (CID 174932900) is (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane.
What is the SMILES notation for (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane?
The canonical SMILES for (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane is C=CCc1c([Si](C)(C)C)sc(C)c1C.
What is the InChIKey of (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane?
The InChIKey is DCLDRFDDIGNNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20SSi/c1-7-8-11-9(2)10(3)13-12(11)14(4,5)6/h7H,1,8H2,2-6H3.
What are the key properties of (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane?
(4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane has a molecular weight of 224.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane is sourced from PubChem (CID 174932900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).