bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane

C12H15NO3Si — CID 154117111

IUPACbis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane
SMILESC=C[SiH](C=C)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15NO3Si/c1-4-17(5-2)10(3)16-12-8-6-11(7-9-12)13(14)15/h4-10,17H,1-2H2,3H3
InChIKeyDNWJCSQKBSAMII-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.58
Rot. Bonds6

About bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane

bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane (PubChem CID 154117111) has the molecular formula C12H15NO3Si and a molecular weight of 249.34 g/mol. Its IUPAC name is bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane.

Molecular Properties

Compound Namebis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane
PubChem CID154117111
Molecular FormulaC12H15NO3Si
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Namebis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane
SMILESC=C[SiH](C=C)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15NO3Si/c1-4-17(5-2)10(3)16-12-8-6-11(7-9-12)13(14)15/h4-10,17H,1-2H2,3H3
InChIKeyDNWJCSQKBSAMII-UHFFFAOYSA-N
XLogP2.58
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.58
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

dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane
CID 154086636
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
CID 132506412
1-(4-nitrophenoxy)ethyl-(2-phenylethenyl)silane
CID 154115926
(2S)-2-(4-nitrophenoxy)butanoate
CID 7858570
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
trihydroxy-(4-nitrophenoxy)phosphanium
CID 70832943
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
1-nitro-4-propan-2-ylsulfanyloxybenzene
CID 163659691
formic acid;[2-methyl-1-(4-nitrophenoxy)propyl] propanoate
CID 144920659
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane?
The IUPAC name of bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane (CID 154117111) is bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane.
What is the SMILES notation for bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane?
The canonical SMILES for bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane is C=C[SiH](C=C)C(C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane?
The InChIKey is DNWJCSQKBSAMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3Si/c1-4-17(5-2)10(3)16-12-8-6-11(7-9-12)13(14)15/h4-10,17H,1-2H2,3H3.
What are the key properties of bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane?
bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane has a molecular weight of 249.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane is sourced from PubChem (CID 154117111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).