1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane

C16H17NO3Si — CID 154115926

IUPAC1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)[SiH2]C=Cc1ccccc1
InChIInChI=1S/C16H17NO3Si/c1-13(21-12-11-14-5-3-2-4-6-14)20-16-9-7-15(8-10-16)17(18)19/h2-13H,21H2,1H3
InChIKeyYOKTVPDEJKSURW-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane

1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane (PubChem CID 154115926) has the molecular formula C16H17NO3Si and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane.

Molecular Properties

Compound Name1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane
PubChem CID154115926
Molecular FormulaC16H17NO3Si
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)[SiH2]C=Cc1ccccc1
InChIInChI=1S/C16H17NO3Si/c1-13(21-12-11-14-5-3-2-4-6-14)20-16-9-7-15(8-10-16)17(18)19/h2-13H,21H2,1H3
InChIKeyYOKTVPDEJKSURW-UHFFFAOYSA-N
XLogP3.16
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.16
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

1-benzhydryloxy-4-nitrobenzene
CID 7434051
bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane
CID 154117111
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
(4-nitrophenyl) 3-hydroxy-2-[[(E)-3-phenylprop-2-enylidene]amino]butanoate
CID 134874407
4-nitro-N-[(E)-4-phenylbut-3-en-2-yl]aniline
CID 177450662
N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide
CID 4814884
(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
CID 23263853
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
2-[[(4-nitrophenoxy)-phenoxyphosphanyl]amino]propanal
CID 144629151
[4-(4-nitrophenoxy)phenyl] 2-(4-phenoxyphenoxy)propanoate
CID 14498576

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane?
The IUPAC name of 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane (CID 154115926) is 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane.
What is the SMILES notation for 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane?
The canonical SMILES for 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane is CC(Oc1ccc([N+](=O)[O-])cc1)[SiH2]C=Cc1ccccc1.
What is the InChIKey of 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane?
The InChIKey is YOKTVPDEJKSURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3Si/c1-13(21-12-11-14-5-3-2-4-6-14)20-16-9-7-15(8-10-16)17(18)19/h2-13H,21H2,1H3.
What are the key properties of 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane?
1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane has a molecular weight of 299.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane is sourced from PubChem (CID 154115926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).