potassium 2-nonoxy-2-oxoacetate

C11H19KO4 — CID 102118471

IUPACpotassium 2-nonoxy-2-oxoacetate
SMILESCCCCCCCCCOC(=O)C(=O)[O-].[K+]
InChIInChI=1S/C11H20O4.K/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13;/h2-9H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyIJFLRBLMBSQCEX-UHFFFAOYSA-M
MW254.37 g/mol
LogP-1.97
Rot. Bonds8

About potassium 2-nonoxy-2-oxoacetate

potassium 2-nonoxy-2-oxoacetate (PubChem CID 102118471) has the molecular formula C11H19KO4 and a molecular weight of 254.37 g/mol. Its IUPAC name is potassium 2-nonoxy-2-oxoacetate.

Molecular Properties

Compound Namepotassium 2-nonoxy-2-oxoacetate
PubChem CID102118471
Molecular FormulaC11H19KO4
Molecular Weight254.37 g/mol
Exact Mass254.09
IUPAC Namepotassium 2-nonoxy-2-oxoacetate
SMILESCCCCCCCCCOC(=O)C(=O)[O-].[K+]
InChIInChI=1S/C11H20O4.K/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13;/h2-9H2,1H3,(H,12,13);/q;+1/p-1
InChIKeyIJFLRBLMBSQCEX-UHFFFAOYSA-M
XLogP-1.97
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 5-1.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium bis(2-hexadecoxy-2-oxoacetate)
CID 161005993
ditridecyl oxalate
CID 18377796
hexadecyl 2-methylprop-2-enoate;2-methylprop-2-enoate
CID 19816604
hexadecyl 2-oxooctanoate
CID 145051782
hexyl carbonate;tin(4+)
CID 161248658
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
hydrazine;2-oxo-2-propoxyacetate
CID 22449370
tetradecyl 3-bromo-2-oxopropanoate
CID 134208650
octyl 3-bromo-2-oxopropanoate
CID 134208644
hexyl 3-bromo-2-oxopropanoate
CID 23332064
dodecyl carbonate;methylazanium
CID 141334888
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144

Frequently Asked Questions

What is the IUPAC name of potassium 2-nonoxy-2-oxoacetate?
The IUPAC name of potassium 2-nonoxy-2-oxoacetate (CID 102118471) is potassium 2-nonoxy-2-oxoacetate.
What is the SMILES notation for potassium 2-nonoxy-2-oxoacetate?
The canonical SMILES for potassium 2-nonoxy-2-oxoacetate is CCCCCCCCCOC(=O)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-nonoxy-2-oxoacetate?
The InChIKey is IJFLRBLMBSQCEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20O4.K/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13;/h2-9H2,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-nonoxy-2-oxoacetate?
potassium 2-nonoxy-2-oxoacetate has a molecular weight of 254.37 g/mol, XLogP of -1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-nonoxy-2-oxoacetate is sourced from PubChem (CID 102118471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).