2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane

C11H18OSi — CID 134885868

IUPAC2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane
SMILESC=CC1OC1(C#C[Si](C)(C)C)CC
InChIInChI=1S/C11H18OSi/c1-6-10-11(7-2,12-10)8-9-13(3,4)5/h6,10H,1,7H2,2-5H3
InChIKeyQLYIRURGVDXWAV-UHFFFAOYSA-N
MW194.35 g/mol
LogP2.60
Rot. Bonds2

About 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane

2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane (PubChem CID 134885868) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane
PubChem CID134885868
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane
SMILESC=CC1OC1(C#C[Si](C)(C)C)CC
InChIInChI=1S/C11H18OSi/c1-6-10-11(7-2,12-10)8-9-13(3,4)5/h6,10H,1,7H2,2-5H3
InChIKeyQLYIRURGVDXWAV-UHFFFAOYSA-N
XLogP2.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 52.60
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane (CID 134885868) is 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane is C=CC1OC1(C#C[Si](C)(C)C)CC.
What is the InChIKey of 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane?
The InChIKey is QLYIRURGVDXWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSi/c1-6-10-11(7-2,12-10)8-9-13(3,4)5/h6,10H,1,7H2,2-5H3.
What are the key properties of 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane?
2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane has a molecular weight of 194.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 134885868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).