ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane

C20H18Si2 — CID 139653371

IUPACethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane
SMILESC#C[Si](C)(C#C[Si](C)(C#C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18Si2/c1-5-21(3,19-13-9-7-10-14-19)17-18-22(4,6-2)20-15-11-8-12-16-20/h1-2,7-16H,3-4H3
InChIKeyMEGRBGJPKQYVFY-UHFFFAOYSA-N
MW314.54 g/mol
LogP2.38
Rot. Bonds2

About ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane

ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane (PubChem CID 139653371) has the molecular formula C20H18Si2 and a molecular weight of 314.54 g/mol. Its IUPAC name is ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane.

Molecular Properties

Compound Nameethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane
PubChem CID139653371
Molecular FormulaC20H18Si2
Molecular Weight314.54 g/mol
Exact Mass314.09
IUPAC Nameethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane
SMILESC#C[Si](C)(C#C[Si](C)(C#C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18Si2/c1-5-21(3,19-13-9-7-10-14-19)17-18-22(4,6-2)20-15-11-8-12-16-20/h1-2,7-16H,3-4H3
InChIKeyMEGRBGJPKQYVFY-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 52.38
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

2-dimethylsilylethynyl-ethynyl-methyl-phenylsilane
CID 123901120
ethynyl-[4-(ethynyl-methyl-phenylsilyl)phenyl]-methyl-phenylsilane
CID 139653416
4-(3-hydroxybut-1-ynyl-methyl-phenylsilyl)but-3-yn-2-ol
CID 71399348
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
butoxy-diethynyl-phenylsilane
CID 139780914
tetramethylsilane;trimethyl(phenyl)silane
CID 161005748
N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline
CID 141263994
N,N'-bis[dimethyl(phenyl)silyl]methanediimine
CID 100943539
[dimethyl(triphenylsilyl)silyl]-dimethyl-triphenylsilylsilane
CID 86205991
magnesium;trimethyl(phenyl)silane;dibromide
CID 175580992
1-[dimethyl(phenyl)silyl]but-3-yn-1-amine
CID 122403263
fluoro-(fluoromethyl)-methyl-phenylsilane
CID 155657984

Frequently Asked Questions

What is the IUPAC name of ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane?
The IUPAC name of ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane (CID 139653371) is ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane.
What is the SMILES notation for ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane?
The canonical SMILES for ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane is C#C[Si](C)(C#C[Si](C)(C#C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane?
The InChIKey is MEGRBGJPKQYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Si2/c1-5-21(3,19-13-9-7-10-14-19)17-18-22(4,6-2)20-15-11-8-12-16-20/h1-2,7-16H,3-4H3.
What are the key properties of ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane?
ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane has a molecular weight of 314.54 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane is sourced from PubChem (CID 139653371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).