sodium 2-trimethylsilylacetate

C5H11NaO2Si — CID 141466987

IUPACsodium 2-trimethylsilylacetate
SMILESC[Si](C)(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C5H12O2Si.Na/c1-8(2,3)4-5(6)7;/h4H2,1-3H3,(H,6,7);/q;+1/p-1
InChIKeyGMPHSXLCSCHVKM-UHFFFAOYSA-M
MW154.22 g/mol
LogP-2.92
Rot. Bonds2

About sodium 2-trimethylsilylacetate

sodium 2-trimethylsilylacetate (PubChem CID 141466987) has the molecular formula C5H11NaO2Si and a molecular weight of 154.22 g/mol. Its IUPAC name is sodium 2-trimethylsilylacetate.

Molecular Properties

Compound Namesodium 2-trimethylsilylacetate
PubChem CID141466987
Molecular FormulaC5H11NaO2Si
Molecular Weight154.22 g/mol
Exact Mass154.04
IUPAC Namesodium 2-trimethylsilylacetate
SMILESC[Si](C)(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C5H12O2Si.Na/c1-8(2,3)4-5(6)7;/h4H2,1-3H3,(H,6,7);/q;+1/p-1
InChIKeyGMPHSXLCSCHVKM-UHFFFAOYSA-M
XLogP-2.92
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-2.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium 2-trimethylsilylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trisodium;propanoate
CID 86625665
nonasodium;nonaacetate
CID 173443222
sodium 5-trimethylsilylpentanoate
CID 157288154
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrofluoride
CID 172761892
sodium;acetate;trihydrate
CID 23665404
tetrasodium;tetraacetate;hydrate
CID 141360802
sodium;alumane;acetate
CID 173418045
trisodium;acetate;carbonate
CID 169079974
potassium;sodium;diacetate
CID 21470705
disodium;sulfanide;acetate
CID 173135140
disodium;butanedioate;methanol
CID 160588999

Frequently Asked Questions

What is the IUPAC name of sodium 2-trimethylsilylacetate?
The IUPAC name of sodium 2-trimethylsilylacetate (CID 141466987) is sodium 2-trimethylsilylacetate.
What is the SMILES notation for sodium 2-trimethylsilylacetate?
The canonical SMILES for sodium 2-trimethylsilylacetate is C[Si](C)(C)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-trimethylsilylacetate?
The InChIKey is GMPHSXLCSCHVKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12O2Si.Na/c1-8(2,3)4-5(6)7;/h4H2,1-3H3,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 2-trimethylsilylacetate?
sodium 2-trimethylsilylacetate has a molecular weight of 154.22 g/mol, XLogP of -2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-trimethylsilylacetate is sourced from PubChem (CID 141466987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).