lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)

C22H38KLiO8 — CID 175224823

IUPAClithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)
SMILESCCC(C)(OC(=O)CC(=O)[O-])C(C)(C)C.CCC(C)(OC(=O)CC(=O)[O-])C(C)(C)C.[K+].[Li+]
InChIInChI=1S/2C11H20O4.K.Li/c2*1-6-11(5,10(2,3)4)15-9(14)7-8(12)13;;/h2*6-7H2,1-5H3,(H,12,13);;/q;;2*+1/p-2
InChIKeyXNNQEBIGUAVHPO-UHFFFAOYSA-L
MW476.58 g/mol
LogP-4.22
Rot. Bonds8

About lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)

lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate) (PubChem CID 175224823) has the molecular formula C22H38KLiO8 and a molecular weight of 476.58 g/mol. Its IUPAC name is lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate).

Molecular Properties

Compound Namelithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)
PubChem CID175224823
Molecular FormulaC22H38KLiO8
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Namelithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)
SMILESCCC(C)(OC(=O)CC(=O)[O-])C(C)(C)C.CCC(C)(OC(=O)CC(=O)[O-])C(C)(C)C.[K+].[Li+]
InChIInChI=1S/2C11H20O4.K.Li/c2*1-6-11(5,10(2,3)4)15-9(14)7-8(12)13;;/h2*6-7H2,1-5H3,(H,12,13);;/q;;2*+1/p-2
InChIKeyXNNQEBIGUAVHPO-UHFFFAOYSA-L
XLogP-4.22
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 5-4.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride
CID 175224821
potassium 3-oxo-3-(2,2,3-trimethyloctan-3-yloxy)propanoate
CID 175226268
potassium 3-oxo-3-(2,2,3-trimethylundecan-3-yloxy)propanoate
CID 175224927
potassium 3-oxo-3-(2,2,3-trimethyldecan-3-yloxy)propanoate
CID 175225019
sodium 3-oxo-3-(2,2,3-trimethyldecan-3-yloxy)propanoate
CID 174969293
azanium 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoate
CID 11658375
bis(2,2,3-trimethyloctan-3-yl) propanedioate
CID 175226011
lithium;sodium;hydride;3-oxo-3-(2,2,3-trimethylheptan-3-yloxy)propanoic acid
CID 174967758
lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride
CID 175224963
sodium 3-(5-methylpentadecan-5-yloxy)-3-oxopropanoate
CID 175226070
3-oxo-3-(2,2,3-trimethyloctan-3-yloxy)propanoic acid
CID 175226013
lithium 3-oxo-3-propoxypropanoate
CID 87491607

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)?
The IUPAC name of lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate) (CID 175224823) is lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate).
What is the SMILES notation for lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)?
The canonical SMILES for lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate) is CCC(C)(OC(=O)CC(=O)[O-])C(C)(C)C.CCC(C)(OC(=O)CC(=O)[O-])C(C)(C)C.[K+].[Li+].
What is the InChIKey of lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)?
The InChIKey is XNNQEBIGUAVHPO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H20O4.K.Li/c2*1-6-11(5,10(2,3)4)15-9(14)7-8(12)13;;/h2*6-7H2,1-5H3,(H,12,13);;/q;;2*+1/p-2.
What are the key properties of lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)?
lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate) has a molecular weight of 476.58 g/mol, XLogP of -4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate) is sourced from PubChem (CID 175224823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).