2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate

C9H21NO3Si — CID 21244454

IUPAC2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate
SMILESCC(C)(ON)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C9H21NO3Si/c1-9(2,13-10)8(11)12-6-7-14(3,4)5/h6-7,10H2,1-5H3
InChIKeyYNFBRYHZRXGBSX-UHFFFAOYSA-N
MW219.36 g/mol
LogP1.54
Rot. Bonds5

About 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate

2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate (PubChem CID 21244454) has the molecular formula C9H21NO3Si and a molecular weight of 219.36 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate
PubChem CID21244454
Molecular FormulaC9H21NO3Si
Molecular Weight219.36 g/mol
Exact Mass219.13
IUPAC Name2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate
SMILESCC(C)(ON)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C9H21NO3Si/c1-9(2,13-10)8(11)12-6-7-14(3,4)5/h6-7,10H2,1-5H3
InChIKeyYNFBRYHZRXGBSX-UHFFFAOYSA-N
XLogP1.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
CID 15363461
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (E)-but-2-enedioate
CID 88503602
(3R,4R,5R)-5-hydroxy-3,4,5-trimethyl-2-methylidene-6-oxo-6-(2-trimethylsilylethoxy)hexanoic acid
CID 15409116
2-trimethylsilylethyl N-diazocarbamate
CID 11106088
4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate
CID 20612433
2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate
CID 90770984
2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
CID 58927101
2-trimethylsilylethoxycarbonylcarbamic acid
CID 88923285
2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid
CID 123214933
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate?
The IUPAC name of 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate (CID 21244454) is 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate is CC(C)(ON)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate?
The InChIKey is YNFBRYHZRXGBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3Si/c1-9(2,13-10)8(11)12-6-7-14(3,4)5/h6-7,10H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate?
2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate has a molecular weight of 219.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate is sourced from PubChem (CID 21244454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).