2-(3-ethylphenyl)ethynyl-trimethylsilane

C13H18Si — CID 67539193

IUPAC2-(3-ethylphenyl)ethynyl-trimethylsilane
SMILESCCc1cccc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C13H18Si/c1-5-12-7-6-8-13(11-12)9-10-14(2,3)4/h6-8,11H,5H2,1-4H3
InChIKeyFHFKOIGIYGFZNC-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.48
Rot. Bonds1

About 2-(3-ethylphenyl)ethynyl-trimethylsilane

2-(3-ethylphenyl)ethynyl-trimethylsilane (PubChem CID 67539193) has the molecular formula C13H18Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-(3-ethylphenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-ethylphenyl)ethynyl-trimethylsilane
PubChem CID67539193
Molecular FormulaC13H18Si
Molecular Weight202.37 g/mol
Exact Mass202.12
IUPAC Name2-(3-ethylphenyl)ethynyl-trimethylsilane
SMILESCCc1cccc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C13H18Si/c1-5-12-7-6-8-13(11-12)9-10-14(2,3)4/h6-8,11H,5H2,1-4H3
InChIKeyFHFKOIGIYGFZNC-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-trimethylsilylethynyl)phenyl]methanol
CID 68608963
1-ethyl-3-prop-1-ynylbenzene
CID 91113772
3-(2-trimethylsilylethynyl)benzonitrile
CID 22570318
1-chloro-4-[2-(3-ethylphenyl)ethynyl]benzene
CID 174446619
CID 153431475
CID 153431475
[(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid
CID 89499587
CID 142234695
CID 142234695
(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
CID 59562929
trimethyl-[3-[3-(3-trimethylsilylprop-2-ynyl)phenyl]prop-1-ynyl]silane
CID 11609100
1-ethyl-3-[2-(4-prop-2-enylphenyl)ethynyl]benzene
CID 174448670
2-(3-tert-butylsulfanylphenyl)ethynyl-trimethylsilane
CID 15294480
ethylbenzene;1-ethyl-3-ethynylbenzene;propane
CID 171552337

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-ethylphenyl)ethynyl-trimethylsilane (CID 67539193) is 2-(3-ethylphenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-ethylphenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-ethylphenyl)ethynyl-trimethylsilane is CCc1cccc(C#C[Si](C)(C)C)c1.
What is the InChIKey of 2-(3-ethylphenyl)ethynyl-trimethylsilane?
The InChIKey is FHFKOIGIYGFZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Si/c1-5-12-7-6-8-13(11-12)9-10-14(2,3)4/h6-8,11H,5H2,1-4H3.
What are the key properties of 2-(3-ethylphenyl)ethynyl-trimethylsilane?
2-(3-ethylphenyl)ethynyl-trimethylsilane has a molecular weight of 202.37 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 67539193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).