trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate

C16H27NO4Si2 — CID 91749481

IUPACtrimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate
SMILESCCON=C(C(=O)O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C16H27NO4Si2/c1-8-19-17-15(16(18)21-23(5,6)7)13-9-11-14(12-10-13)20-22(2,3)4/h9-12H,8H2,1-7H3
InChIKeyBMDLLZCUGJXJFQ-UHFFFAOYSA-N
MW353.57 g/mol
LogP4.02
Rot. Bonds7

About trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate

trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate (PubChem CID 91749481) has the molecular formula C16H27NO4Si2 and a molecular weight of 353.57 g/mol. Its IUPAC name is trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate
PubChem CID91749481
Molecular FormulaC16H27NO4Si2
Molecular Weight353.57 g/mol
Exact Mass353.15
IUPAC Nametrimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate
SMILESCCON=C(C(=O)O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C16H27NO4Si2/c1-8-19-17-15(16(18)21-23(5,6)7)13-9-11-14(12-10-13)20-22(2,3)4/h9-12H,8H2,1-7H3
InChIKeyBMDLLZCUGJXJFQ-UHFFFAOYSA-N
XLogP4.02
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate?
The IUPAC name of trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate (CID 91749481) is trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate.
What is the SMILES notation for trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate?
The canonical SMILES for trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate is CCON=C(C(=O)O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate?
The InChIKey is BMDLLZCUGJXJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4Si2/c1-8-19-17-15(16(18)21-23(5,6)7)13-9-11-14(12-10-13)20-22(2,3)4/h9-12H,8H2,1-7H3.
What are the key properties of trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate?
trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate has a molecular weight of 353.57 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate is sourced from PubChem (CID 91749481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).