ethenyl-(4-nitrophenoxy)-diphenylsilane

C20H17NO3Si — CID 532595

IUPACethenyl-(4-nitrophenoxy)-diphenylsilane
SMILESC=C[Si](Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO3Si/c1-2-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)24-18-15-13-17(14-16-18)21(22)23/h2-16H,1H2
InChIKeyPBJHTDMBJPUXAE-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.46
Rot. Bonds6

About ethenyl-(4-nitrophenoxy)-diphenylsilane

ethenyl-(4-nitrophenoxy)-diphenylsilane (PubChem CID 532595) has the molecular formula C20H17NO3Si and a molecular weight of 347.45 g/mol. Its IUPAC name is ethenyl-(4-nitrophenoxy)-diphenylsilane.

Molecular Properties

Compound Nameethenyl-(4-nitrophenoxy)-diphenylsilane
PubChem CID532595
Molecular FormulaC20H17NO3Si
Molecular Weight347.45 g/mol
Exact Mass347.10
IUPAC Nameethenyl-(4-nitrophenoxy)-diphenylsilane
SMILESC=C[Si](Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO3Si/c1-2-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)24-18-15-13-17(14-16-18)21(22)23/h2-16H,1H2
InChIKeyPBJHTDMBJPUXAE-UHFFFAOYSA-N
XLogP3.46
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane
CID 23455545
benzenethiol;1,4-dinitrobenzene
CID 174543198
azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180
benzene;iron;nitrobenzene
CID 174446919
calcium nitrobenzene
CID 67916702
azanium nitrobenzene
CID 22989049
formyl chloride;nitrobenzene;hydrate
CID 158709717
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
but-2-ene;ethane;nitrobenzene;prop-1-ene
CID 159001783
1-benzhydryloxy-4-nitrobenzene
CID 7434051
CID 174729651
CID 174729651

Frequently Asked Questions

What is the IUPAC name of ethenyl-(4-nitrophenoxy)-diphenylsilane?
The IUPAC name of ethenyl-(4-nitrophenoxy)-diphenylsilane (CID 532595) is ethenyl-(4-nitrophenoxy)-diphenylsilane.
What is the SMILES notation for ethenyl-(4-nitrophenoxy)-diphenylsilane?
The canonical SMILES for ethenyl-(4-nitrophenoxy)-diphenylsilane is C=C[Si](Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl-(4-nitrophenoxy)-diphenylsilane?
The InChIKey is PBJHTDMBJPUXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3Si/c1-2-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)24-18-15-13-17(14-16-18)21(22)23/h2-16H,1H2.
What are the key properties of ethenyl-(4-nitrophenoxy)-diphenylsilane?
ethenyl-(4-nitrophenoxy)-diphenylsilane has a molecular weight of 347.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-(4-nitrophenoxy)-diphenylsilane is sourced from PubChem (CID 532595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).