trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate

C14H22N2O5Si2 — CID 11268252

IUPACtrimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate
SMILESC[Si](C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H22N2O5Si2/c1-22(2,3)15-13(17)11-8-7-10(16(19)20)9-12(11)14(18)21-23(4,5)6/h7-9H,1-6H3,(H,15,17)
InChIKeyPPRGVUBWXQFVEK-UHFFFAOYSA-N
MW354.51 g/mol
LogP3.15
Rot. Bonds5

About trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate

trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate (PubChem CID 11268252) has the molecular formula C14H22N2O5Si2 and a molecular weight of 354.51 g/mol. Its IUPAC name is trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate.

Molecular Properties

Compound Nametrimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate
PubChem CID11268252
Molecular FormulaC14H22N2O5Si2
Molecular Weight354.51 g/mol
Exact Mass354.11
IUPAC Nametrimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate
SMILESC[Si](C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H22N2O5Si2/c1-22(2,3)15-13(17)11-8-7-10(16(19)20)9-12(11)14(18)21-23(4,5)6/h7-9H,1-6H3,(H,15,17)
InChIKeyPPRGVUBWXQFVEK-UHFFFAOYSA-N
XLogP3.15
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
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

trimethylsilyl 4-nitrobenzoate
CID 12579305
4-nitro-N-trimethylsilylbenzamide
CID 12726300
2-methyl-3,5-dinitro-N-trimethylsilylbenzamide
CID 91697364
2-methoxycarbonyl-5-nitrobenzoic acid
CID 13221841
methyl 2-cyclopropyl-4-nitrobenzoate
CID 71252214
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
methyl 2-(2-diazoacetyl)-5-nitrobenzoate
CID 71430430
methyl 2-ethyl-5-nitrobenzoate
CID 54220219
methyl 2-tert-butyl-5-nitrobenzoate
CID 20815738
bis(4-nitrophthalic acid);zirconium
CID 5176883
methyl 2-(2,2-dimethoxyethylcarbamoyl)-4-nitrobenzoate
CID 174555937

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate?
The IUPAC name of trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate (CID 11268252) is trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate.
What is the SMILES notation for trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate?
The canonical SMILES for trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate is C[Si](C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate?
The InChIKey is PPRGVUBWXQFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5Si2/c1-22(2,3)15-13(17)11-8-7-10(16(19)20)9-12(11)14(18)21-23(4,5)6/h7-9H,1-6H3,(H,15,17).
What are the key properties of trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate?
trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate has a molecular weight of 354.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-nitro-2-(trimethylsilylcarbamoyl)benzoate is sourced from PubChem (CID 11268252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).