trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane

C15H15NO2Si — CID 11196481

IUPACtrimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane
SMILESC[Si](C)(C)/C=C/C#CC#Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15NO2Si/c1-19(2,3)13-7-5-4-6-8-14-9-11-15(12-10-14)16(17)18/h7,9-13H,1-3H3/b13-7+
InChIKeyGYZJBGWYTDHXPW-NTUHNPAUSA-N
MW269.38 g/mol
LogP3.38
Rot. Bonds2

About trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane

trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane (PubChem CID 11196481) has the molecular formula C15H15NO2Si and a molecular weight of 269.38 g/mol. Its IUPAC name is trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane
PubChem CID11196481
Molecular FormulaC15H15NO2Si
Molecular Weight269.38 g/mol
Exact Mass269.09
IUPAC Nametrimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane
SMILESC[Si](C)(C)/C=C/C#CC#Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15NO2Si/c1-19(2,3)13-7-5-4-6-8-14-9-11-15(12-10-14)16(17)18/h7,9-13H,1-3H3/b13-7+
InChIKeyGYZJBGWYTDHXPW-NTUHNPAUSA-N
XLogP3.38
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.38
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-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane?
The IUPAC name of trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane (CID 11196481) is trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane.
What is the SMILES notation for trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane?
The canonical SMILES for trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane is C[Si](C)(C)/C=C/C#CC#Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane?
The InChIKey is GYZJBGWYTDHXPW-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H15NO2Si/c1-19(2,3)13-7-5-4-6-8-14-9-11-15(12-10-14)16(17)18/h7,9-13H,1-3H3/b13-7+.
What are the key properties of trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane?
trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane has a molecular weight of 269.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-6-(4-nitrophenyl)hex-1-en-3,5-diynyl]silane is sourced from PubChem (CID 11196481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).