dimethylsilyl 2-methoxyacetate

C5H12O3Si — CID 154197714

IUPACdimethylsilyl 2-methoxyacetate
SMILESCOCC(=O)O[SiH](C)C
InChIInChI=1S/C5H12O3Si/c1-7-4-5(6)8-9(2)3/h9H,4H2,1-3H3
InChIKeyTZEJZJCNDMJWLG-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.16
Rot. Bonds3

About dimethylsilyl 2-methoxyacetate

dimethylsilyl 2-methoxyacetate (PubChem CID 154197714) has the molecular formula C5H12O3Si and a molecular weight of 148.23 g/mol. Its IUPAC name is dimethylsilyl 2-methoxyacetate.

Molecular Properties

Compound Namedimethylsilyl 2-methoxyacetate
PubChem CID154197714
Molecular FormulaC5H12O3Si
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Namedimethylsilyl 2-methoxyacetate
SMILESCOCC(=O)O[SiH](C)C
InChIInChI=1S/C5H12O3Si/c1-7-4-5(6)8-9(2)3/h9H,4H2,1-3H3
InChIKeyTZEJZJCNDMJWLG-UHFFFAOYSA-N
XLogP0.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylsilyl 2-methoxyacetate?
The IUPAC name of dimethylsilyl 2-methoxyacetate (CID 154197714) is dimethylsilyl 2-methoxyacetate.
What is the SMILES notation for dimethylsilyl 2-methoxyacetate?
The canonical SMILES for dimethylsilyl 2-methoxyacetate is COCC(=O)O[SiH](C)C.
What is the InChIKey of dimethylsilyl 2-methoxyacetate?
The InChIKey is TZEJZJCNDMJWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3Si/c1-7-4-5(6)8-9(2)3/h9H,4H2,1-3H3.
What are the key properties of dimethylsilyl 2-methoxyacetate?
dimethylsilyl 2-methoxyacetate has a molecular weight of 148.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl 2-methoxyacetate is sourced from PubChem (CID 154197714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).