trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane

C15H15NO2Si — CID 132565221

IUPACtrimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C15H15NO2Si/c1-19(2,3)11-10-12-8-9-15(16(17)18)14-7-5-4-6-13(12)14/h4-9H,1-3H3
InChIKeySTEXCBOEWKMAMQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.98
Rot. Bonds1

About trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane

trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane (PubChem CID 132565221) has the molecular formula C15H15NO2Si and a molecular weight of 269.38 g/mol. Its IUPAC name is trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane
PubChem CID132565221
Molecular FormulaC15H15NO2Si
Molecular Weight269.38 g/mol
Exact Mass269.09
IUPAC Nametrimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C15H15NO2Si/c1-19(2,3)11-10-12-8-9-15(16(17)18)14-7-5-4-6-13(12)14/h4-9H,1-3H3
InChIKeySTEXCBOEWKMAMQ-UHFFFAOYSA-N
XLogP3.98
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane (CID 132565221) is trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane is C[Si](C)(C)C#Cc1ccc([N+](=O)[O-])c2ccccc12.
What is the InChIKey of trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane?
The InChIKey is STEXCBOEWKMAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2Si/c1-19(2,3)11-10-12-8-9-15(16(17)18)14-7-5-4-6-13(12)14/h4-9H,1-3H3.
What are the key properties of trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane?
trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane has a molecular weight of 269.38 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane is sourced from PubChem (CID 132565221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).