trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane

C11H17NO5Si — CID 170560619

IUPACtrimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane
SMILESCO[Si](Cc1cc(C)ccc1[N+](=O)[O-])(OC)OC
InChIInChI=1S/C11H17NO5Si/c1-9-5-6-11(12(13)14)10(7-9)8-18(15-2,16-3)17-4/h5-7H,8H2,1-4H3
InChIKeyXWMOMYNGMIPYAW-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.86
Rot. Bonds6

About trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane

trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane (PubChem CID 170560619) has the molecular formula C11H17NO5Si and a molecular weight of 271.34 g/mol. Its IUPAC name is trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane.

Molecular Properties

Compound Nametrimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane
PubChem CID170560619
Molecular FormulaC11H17NO5Si
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nametrimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane
SMILESCO[Si](Cc1cc(C)ccc1[N+](=O)[O-])(OC)OC
InChIInChI=1S/C11H17NO5Si/c1-9-5-6-11(12(13)14)10(7-9)8-18(15-2,16-3)17-4/h5-7H,8H2,1-4H3
InChIKeyXWMOMYNGMIPYAW-UHFFFAOYSA-N
XLogP1.86
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-methyl-2-[(5-methyl-2-nitrophenyl)methoxymethyl]-1-nitrobenzene
CID 150905300
methyl 2-bromo-3-(5-methyl-2-nitrophenyl)propanoate
CID 112557915
2-(2,2-difluoropropoxymethyl)-4-methyl-1-nitrobenzene
CID 155580536
4-methyl-2-nitrophenolate
CID 6989903
ethyl 2-chloro-3-(5-methyl-2-nitrophenyl)propanoate
CID 112557914
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline
CID 43443545
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 62504743
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
sodium 4-methyl-2-nitrophenolate
CID 12989561
[5-(methoxymethoxy)-2-nitrophenyl]methyl-trimethylsilane
CID 11587103

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane?
The IUPAC name of trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane (CID 170560619) is trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane.
What is the SMILES notation for trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane?
The canonical SMILES for trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane is CO[Si](Cc1cc(C)ccc1[N+](=O)[O-])(OC)OC.
What is the InChIKey of trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane?
The InChIKey is XWMOMYNGMIPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5Si/c1-9-5-6-11(12(13)14)10(7-9)8-18(15-2,16-3)17-4/h5-7H,8H2,1-4H3.
What are the key properties of trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane?
trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane has a molecular weight of 271.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[(5-methyl-2-nitrophenyl)methyl]silane is sourced from PubChem (CID 170560619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).