potassium 2-triethylsilyloxane-2-carboxylate

C12H23KO3Si — CID 67925395

IUPACpotassium 2-triethylsilyloxane-2-carboxylate
SMILESCC[Si](CC)(CC)C1(C(=O)[O-])CCCCO1.[K+]
InChIInChI=1S/C12H24O3Si.K/c1-4-16(5-2,6-3)12(11(13)14)9-7-8-10-15-12;/h4-10H2,1-3H3,(H,13,14);/q;+1/p-1
InChIKeyPZNZPBFYLZMZRQ-UHFFFAOYSA-M
MW282.50 g/mol
LogP-1.27
Rot. Bonds5

About potassium 2-triethylsilyloxane-2-carboxylate

potassium 2-triethylsilyloxane-2-carboxylate (PubChem CID 67925395) has the molecular formula C12H23KO3Si and a molecular weight of 282.50 g/mol. Its IUPAC name is potassium 2-triethylsilyloxane-2-carboxylate.

Molecular Properties

Compound Namepotassium 2-triethylsilyloxane-2-carboxylate
PubChem CID67925395
Molecular FormulaC12H23KO3Si
Molecular Weight282.50 g/mol
Exact Mass282.11
IUPAC Namepotassium 2-triethylsilyloxane-2-carboxylate
SMILESCC[Si](CC)(CC)C1(C(=O)[O-])CCCCO1.[K+]
InChIInChI=1S/C12H24O3Si.K/c1-4-16(5-2,6-3)12(11(13)14)9-7-8-10-15-12;/h4-10H2,1-3H3,(H,13,14);/q;+1/p-1
InChIKeyPZNZPBFYLZMZRQ-UHFFFAOYSA-M
XLogP-1.27
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 5-1.27
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 potassium 2-triethylsilyloxane-2-carboxylate?
The IUPAC name of potassium 2-triethylsilyloxane-2-carboxylate (CID 67925395) is potassium 2-triethylsilyloxane-2-carboxylate.
What is the SMILES notation for potassium 2-triethylsilyloxane-2-carboxylate?
The canonical SMILES for potassium 2-triethylsilyloxane-2-carboxylate is CC[Si](CC)(CC)C1(C(=O)[O-])CCCCO1.[K+].
What is the InChIKey of potassium 2-triethylsilyloxane-2-carboxylate?
The InChIKey is PZNZPBFYLZMZRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O3Si.K/c1-4-16(5-2,6-3)12(11(13)14)9-7-8-10-15-12;/h4-10H2,1-3H3,(H,13,14);/q;+1/p-1.
What are the key properties of potassium 2-triethylsilyloxane-2-carboxylate?
potassium 2-triethylsilyloxane-2-carboxylate has a molecular weight of 282.50 g/mol, XLogP of -1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-triethylsilyloxane-2-carboxylate is sourced from PubChem (CID 67925395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).