trimethyl-[2-(4-nitrophenyl)ethynyl]stannane

C11H13NO2Sn — CID 11467485

IUPACtrimethyl-[2-(4-nitrophenyl)ethynyl]stannane
SMILESC[Sn](C)(C)C#Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H4NO2.3CH3.Sn/c1-2-7-3-5-8(6-4-7)9(10)11;;;;/h3-6H;3*1H3;
InChIKeyQCEWDGHVMJVAFU-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.82
Rot. Bonds1

About trimethyl-[2-(4-nitrophenyl)ethynyl]stannane

trimethyl-[2-(4-nitrophenyl)ethynyl]stannane (PubChem CID 11467485) has the molecular formula C11H13NO2Sn and a molecular weight of 309.94 g/mol. Its IUPAC name is trimethyl-[2-(4-nitrophenyl)ethynyl]stannane.

Molecular Properties

Compound Nametrimethyl-[2-(4-nitrophenyl)ethynyl]stannane
PubChem CID11467485
Molecular FormulaC11H13NO2Sn
Molecular Weight309.94 g/mol
Exact Mass311.00
IUPAC Nametrimethyl-[2-(4-nitrophenyl)ethynyl]stannane
SMILESC[Sn](C)(C)C#Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H4NO2.3CH3.Sn/c1-2-7-3-5-8(6-4-7)9(10)11;;;;/h3-6H;3*1H3;
InChIKeyQCEWDGHVMJVAFU-UHFFFAOYSA-N
XLogP2.82
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1-nitro-4-[2-(4-nitrophenyl)ethynyl]benzene
CID 622663
1-[2-(tert-butyldisulfanyl)ethynyl]-4-nitrobenzene
CID 154630230
4-[2-(4-nitrophenyl)ethynyl]benzenethiol
CID 19375267
1-(3-chloroprop-1-ynyl)-4-nitrobenzene
CID 91875200
1,3,5-trifluoro-2,4,6-tris[2-(4-nitrophenyl)ethynyl]benzene
CID 71417763
1-(4-methylpent-3-en-1-ynyl)-4-nitrobenzene
CID 102488625
5-(4-nitrophenyl)pent-4-yn-2-ol
CID 10910665
trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane
CID 11196481
4-[2-(4-nitrophenyl)ethynyl]benzamide
CID 175807940
6-(4-nitrophenyl)hex-5-ynylazanium chloride
CID 121013113
N,N-dimethyl-4-[2-[3-[2-(4-nitrophenyl)ethynyl]cyclobuta-1,3-dien-1-yl]ethynyl]aniline
CID 102104003
sodium;acetonitrile;1,4-dinitrobenzene;hydride
CID 175263716

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-nitrophenyl)ethynyl]stannane?
The IUPAC name of trimethyl-[2-(4-nitrophenyl)ethynyl]stannane (CID 11467485) is trimethyl-[2-(4-nitrophenyl)ethynyl]stannane.
What is the SMILES notation for trimethyl-[2-(4-nitrophenyl)ethynyl]stannane?
The canonical SMILES for trimethyl-[2-(4-nitrophenyl)ethynyl]stannane is C[Sn](C)(C)C#Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trimethyl-[2-(4-nitrophenyl)ethynyl]stannane?
The InChIKey is QCEWDGHVMJVAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4NO2.3CH3.Sn/c1-2-7-3-5-8(6-4-7)9(10)11;;;;/h3-6H;3*1H3;.
What are the key properties of trimethyl-[2-(4-nitrophenyl)ethynyl]stannane?
trimethyl-[2-(4-nitrophenyl)ethynyl]stannane has a molecular weight of 309.94 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-nitrophenyl)ethynyl]stannane is sourced from PubChem (CID 11467485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).