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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Related Compounds

1-nitro-4-[2-(4-nitrophenyl)ethynyl]benzene
CID 622663
trimethyl-[2-(4-nitrophenyl)ethynyl]stannane
CID 11467485
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
1-(4-methylpent-3-en-1-ynyl)-4-nitrobenzene
CID 102488625
1-nitro-4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzene
CID 10022348
4-[2-(4-nitrophenyl)ethynyl]benzenethiol
CID 19375267
trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane
CID 101241776
ethyl (E)-5-(4-nitrophenyl)pent-2-en-4-ynoate
CID 87590102
1-[2-(tert-butyldisulfanyl)ethynyl]-4-nitrobenzene
CID 154630230
[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane
CID 23455514
1-(3-chloroprop-1-ynyl)-4-nitrobenzene
CID 91875200
1,3,5-trifluoro-2,4,6-tris[2-(4-nitrophenyl)ethynyl]benzene
CID 71417763

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).