trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane

C11H17NO3Si — CID 56529290

IUPACtrimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane
SMILESCc1ccc(OC[Si](C)(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H17NO3Si/c1-9-5-6-11(10(7-9)12(13)14)15-8-16(2,3)4/h5-7H,8H2,1-4H3
InChIKeyZLKGBOFBYVBXSG-UHFFFAOYSA-N
MW239.35 g/mol
LogP3.16
Rot. Bonds4

About trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane

trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane (PubChem CID 56529290) has the molecular formula C11H17NO3Si and a molecular weight of 239.35 g/mol. Its IUPAC name is trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane.

Molecular Properties

Compound Nametrimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane
PubChem CID56529290
Molecular FormulaC11H17NO3Si
Molecular Weight239.35 g/mol
Exact Mass239.10
IUPAC Nametrimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane
SMILESCc1ccc(OC[Si](C)(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H17NO3Si/c1-9-5-6-11(10(7-9)12(13)14)15-8-16(2,3)4/h5-7H,8H2,1-4H3
InChIKeyZLKGBOFBYVBXSG-UHFFFAOYSA-N
XLogP3.16
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
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

4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
1-(4-bromobutoxy)-4-methyl-2-nitrobenzene
CID 61313190
4-methyl-2-nitro-1-octoxybenzene
CID 11708750
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
methyl 3-nitro-4-(trimethylsilylmethoxy)benzoate
CID 56529289
2-methyl-3-(4-methyl-2-nitrophenoxy)propan-1-ol
CID 115870896
3-[(4-methyl-2-nitrophenoxy)methyl]pentan-3-amine
CID 64571696
4-chloro-2-[(4-methyl-2-nitrophenoxy)methyl]pyridine
CID 79245156
3-chloro-6-[(4-methyl-2-nitrophenoxy)methyl]pyridazine
CID 104514208
1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methyl-2-nitrobenzene
CID 2284208
1-[3-(2-ethoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2285595
1-[2-(2,4-dichlorophenoxy)ethoxy]-4-methyl-2-nitrobenzene
CID 57398735

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane?
The IUPAC name of trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane (CID 56529290) is trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane.
What is the SMILES notation for trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane?
The canonical SMILES for trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane is Cc1ccc(OC[Si](C)(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane?
The InChIKey is ZLKGBOFBYVBXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3Si/c1-9-5-6-11(10(7-9)12(13)14)15-8-16(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane?
trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane has a molecular weight of 239.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane is sourced from PubChem (CID 56529290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).