ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane

C21H19NO3Si — CID 23455545

IUPACethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane
SMILESC=C[Si](COc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3Si/c1-2-26(20-9-5-3-6-10-20,21-11-7-4-8-12-21)17-25-19-15-13-18(14-16-19)22(23)24/h2-16H,1,17H2
InChIKeyUPCUUMCLYCNEKO-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.50
Rot. Bonds7

About ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane

ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane (PubChem CID 23455545) has the molecular formula C21H19NO3Si and a molecular weight of 361.47 g/mol. Its IUPAC name is ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane.

Molecular Properties

Compound Nameethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane
PubChem CID23455545
Molecular FormulaC21H19NO3Si
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Nameethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane
SMILESC=C[Si](COc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3Si/c1-2-26(20-9-5-3-6-10-20,21-11-7-4-8-12-21)17-25-19-15-13-18(14-16-19)22(23)24/h2-16H,1,17H2
InChIKeyUPCUUMCLYCNEKO-UHFFFAOYSA-N
XLogP3.50
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.50
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)-diphenylsilane
CID 532595
[dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane
CID 54082627
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
1-[2-(benzenesulfinyl)prop-2-enoxy]-4-nitrobenzene
CID 71415370
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
1-nitro-4-(4-prop-2-enoxyphenyl)sulfanylbenzene
CID 90378892
[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane
CID 23455514
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
1-nitro-4-[(E)-4-phenylmethoxybut-2-enoxy]benzene
CID 100966430
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693

Frequently Asked Questions

What is the IUPAC name of ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane?
The IUPAC name of ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane (CID 23455545) is ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane.
What is the SMILES notation for ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane?
The canonical SMILES for ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane is C=C[Si](COc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane?
The InChIKey is UPCUUMCLYCNEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3Si/c1-2-26(20-9-5-3-6-10-20,21-11-7-4-8-12-21)17-25-19-15-13-18(14-16-19)22(23)24/h2-16H,1,17H2.
What are the key properties of ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane?
ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane has a molecular weight of 361.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[(4-nitrophenoxy)methyl]-diphenylsilane is sourced from PubChem (CID 23455545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).