sodium;2-chloroacetic acid;trimethylsilanide

C5H12ClNaO2Si — CID 159860782

IUPACsodium;2-chloroacetic acid;trimethylsilanide
SMILESC[Si-](C)C.O=C(O)CCl.[Na+]
InChIInChI=1S/C3H9Si.C2H3ClO2.Na/c1-4(2)3;3-1-2(4)5;/h1-3H3;1H2,(H,4,5);/q-1;;+1
InChIKeyYHZVTOPWDSBTNP-UHFFFAOYSA-N
MW190.68 g/mol
LogP-1.32
Rot. Bonds1

About sodium;2-chloroacetic acid;trimethylsilanide

sodium;2-chloroacetic acid;trimethylsilanide (PubChem CID 159860782) has the molecular formula C5H12ClNaO2Si and a molecular weight of 190.68 g/mol. Its IUPAC name is sodium;2-chloroacetic acid;trimethylsilanide.

Molecular Properties

Compound Namesodium;2-chloroacetic acid;trimethylsilanide
PubChem CID159860782
Molecular FormulaC5H12ClNaO2Si
Molecular Weight190.68 g/mol
Exact Mass190.02
IUPAC Namesodium;2-chloroacetic acid;trimethylsilanide
SMILESC[Si-](C)C.O=C(O)CCl.[Na+]
InChIInChI=1S/C3H9Si.C2H3ClO2.Na/c1-4(2)3;3-1-2(4)5;/h1-3H3;1H2,(H,4,5);/q-1;;+1
InChIKeyYHZVTOPWDSBTNP-UHFFFAOYSA-N
XLogP-1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.68
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-chloroacetic acid;trimethylsilanide?
The IUPAC name of sodium;2-chloroacetic acid;trimethylsilanide (CID 159860782) is sodium;2-chloroacetic acid;trimethylsilanide.
What is the SMILES notation for sodium;2-chloroacetic acid;trimethylsilanide?
The canonical SMILES for sodium;2-chloroacetic acid;trimethylsilanide is C[Si-](C)C.O=C(O)CCl.[Na+].
What is the InChIKey of sodium;2-chloroacetic acid;trimethylsilanide?
The InChIKey is YHZVTOPWDSBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9Si.C2H3ClO2.Na/c1-4(2)3;3-1-2(4)5;/h1-3H3;1H2,(H,4,5);/q-1;;+1.
What are the key properties of sodium;2-chloroacetic acid;trimethylsilanide?
sodium;2-chloroacetic acid;trimethylsilanide has a molecular weight of 190.68 g/mol, XLogP of -1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-chloroacetic acid;trimethylsilanide is sourced from PubChem (CID 159860782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).