trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane

C16H21NO2Si2 — CID 11565908

IUPACtrimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc([N+](=O)[O-])c1C#C[Si](C)(C)C
InChIInChI=1S/C16H21NO2Si2/c1-20(2,3)12-10-14-8-7-9-16(17(18)19)15(14)11-13-21(4,5)6/h7-9H,1-6H3
InChIKeyCVGRGQNXKNDBEV-UHFFFAOYSA-N
MW315.52 g/mol
LogP4.05
Rot. Bonds1

About trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane

trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane (PubChem CID 11565908) has the molecular formula C16H21NO2Si2 and a molecular weight of 315.52 g/mol. Its IUPAC name is trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
PubChem CID11565908
Molecular FormulaC16H21NO2Si2
Molecular Weight315.52 g/mol
Exact Mass315.11
IUPAC Nametrimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc([N+](=O)[O-])c1C#C[Si](C)(C)C
InChIInChI=1S/C16H21NO2Si2/c1-20(2,3)12-10-14-8-7-9-16(17(18)19)15(14)11-13-21(4,5)6/h7-9H,1-6H3
InChIKeyCVGRGQNXKNDBEV-UHFFFAOYSA-N
XLogP4.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-6-nitrophenyl)ethynyl-trimethylsilane
CID 165354100
trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane
CID 132565221
trimethyl-[2-[2-trimethylsilyl-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 139768506
2-ethynyl-1,3-dinitrobenzene
CID 174667874
trimethyl-[2-(4-methyl-3-nitrophenyl)ethynyl]silane
CID 18925057
trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane
CID 53484335
5-methyl-4-nitro-2-(2-trimethylsilylethynyl)aniline
CID 59276817
1-nitro-5-[4-(5-nitronaphthalen-1-yl)buta-1,3-diynyl]naphthalene
CID 101207854
2-[2-(4-methoxyphenyl)ethynyl]-1-methyl-3-nitrobenzene
CID 102320570
2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane
CID 142387759
acetonitrile;1,2-dinitrobenzene
CID 174895848
2-nitro-6-sulfanylbenzonitrile
CID 150896521

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane (CID 11565908) is trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1cccc([N+](=O)[O-])c1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
The InChIKey is CVGRGQNXKNDBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2Si2/c1-20(2,3)12-10-14-8-7-9-16(17(18)19)15(14)11-13-21(4,5)6/h7-9H,1-6H3.
What are the key properties of trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane?
trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane has a molecular weight of 315.52 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane is sourced from PubChem (CID 11565908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).