3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane

C14H20SSi — CID 67306765

IUPAC3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane
SMILESCCSc1ccc(CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C14H20SSi/c1-5-15-14-10-8-13(9-11-14)7-6-12-16(2,3)4/h8-11H,5,7H2,1-4H3
InChIKeyVMAPCSFPEXMWGV-UHFFFAOYSA-N
MW248.47 g/mol
LogP4.22
Rot. Bonds3

About 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane

3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane (PubChem CID 67306765) has the molecular formula C14H20SSi and a molecular weight of 248.47 g/mol. Its IUPAC name is 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane
PubChem CID67306765
Molecular FormulaC14H20SSi
Molecular Weight248.47 g/mol
Exact Mass248.11
IUPAC Name3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane
SMILESCCSc1ccc(CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C14H20SSi/c1-5-15-14-10-8-13(9-11-14)7-6-12-16(2,3)4/h8-11H,5,7H2,1-4H3
InChIKeyVMAPCSFPEXMWGV-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane (CID 67306765) is 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane is CCSc1ccc(CC#C[Si](C)(C)C)cc1.
What is the InChIKey of 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane?
The InChIKey is VMAPCSFPEXMWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20SSi/c1-5-15-14-10-8-13(9-11-14)7-6-12-16(2,3)4/h8-11H,5,7H2,1-4H3.
What are the key properties of 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane?
3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane has a molecular weight of 248.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfanylphenyl)prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 67306765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).