dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane

C20H18Si — CID 102396235

IUPACdimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane
SMILESC[Si](C)(C#Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H18Si/c1-21(2,19-12-4-3-5-13-19)16-15-18-11-8-10-17-9-6-7-14-20(17)18/h3-14H,1-2H3
InChIKeyCIHLFWKSTVLYLL-UHFFFAOYSA-N
MW286.45 g/mol
LogP4.35
Rot. Bonds1

About dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane

dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane (PubChem CID 102396235) has the molecular formula C20H18Si and a molecular weight of 286.45 g/mol. Its IUPAC name is dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane.

Molecular Properties

Compound Namedimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane
PubChem CID102396235
Molecular FormulaC20H18Si
Molecular Weight286.45 g/mol
Exact Mass286.12
IUPAC Namedimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane
SMILESC[Si](C)(C#Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H18Si/c1-21(2,19-12-4-3-5-13-19)16-15-18-11-8-10-17-9-6-7-14-20(17)18/h3-14H,1-2H3
InChIKeyCIHLFWKSTVLYLL-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane?
The IUPAC name of dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane (CID 102396235) is dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane.
What is the SMILES notation for dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane?
The canonical SMILES for dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane is C[Si](C)(C#Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane?
The InChIKey is CIHLFWKSTVLYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Si/c1-21(2,19-12-4-3-5-13-19)16-15-18-11-8-10-17-9-6-7-14-20(17)18/h3-14H,1-2H3.
What are the key properties of dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane?
dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane has a molecular weight of 286.45 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane is sourced from PubChem (CID 102396235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).