[dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane

C13H21NO4Si2 — CID 54082627

IUPAC[dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)O[Si](C)(C)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H21NO4Si2/c1-6-19(2,3)18-20(4,5)11-17-13-9-7-12(8-10-13)14(15)16/h6-10H,1,11H2,2-5H3
InChIKeyMOEGUJAPQYZVCA-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.66
Rot. Bonds7

About [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane

[dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane (PubChem CID 54082627) has the molecular formula C13H21NO4Si2 and a molecular weight of 311.49 g/mol. Its IUPAC name is [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane.

Molecular Properties

Compound Name[dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane
PubChem CID54082627
Molecular FormulaC13H21NO4Si2
Molecular Weight311.49 g/mol
Exact Mass311.10
IUPAC Name[dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)O[Si](C)(C)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H21NO4Si2/c1-6-19(2,3)18-20(4,5)11-17-13-9-7-12(8-10-13)14(15)16/h6-10H,1,11H2,2-5H3
InChIKeyMOEGUJAPQYZVCA-UHFFFAOYSA-N
XLogP3.66
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
[(E)-but-1-enyl]-dimethyl-[(4-nitrophenoxy)methyl]silane
CID 23455514
1-nitro-4-(4-prop-2-enoxyphenyl)sulfanylbenzene
CID 90378892
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
N-methyl-1-(4-nitrophenoxy)methanamine
CID 58708535
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244
2,2-dimethyl-6-(4-nitrophenoxy)hexanenitrile
CID 106710452
2-(4-nitrophenoxy)ethyl formate
CID 91696305
1-nitro-4-octadecoxybenzene
CID 4258205

Frequently Asked Questions

What is the IUPAC name of [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane?
The IUPAC name of [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane (CID 54082627) is [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane.
What is the SMILES notation for [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane?
The canonical SMILES for [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane is C=C[Si](C)(C)O[Si](C)(C)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane?
The InChIKey is MOEGUJAPQYZVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4Si2/c1-6-19(2,3)18-20(4,5)11-17-13-9-7-12(8-10-13)14(15)16/h6-10H,1,11H2,2-5H3.
What are the key properties of [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane?
[dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane has a molecular weight of 311.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[(4-nitrophenoxy)methyl]silyl]oxy-ethenyl-dimethylsilane is sourced from PubChem (CID 54082627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).