lithium;potassium;2-heptan-2-yl-2-methylpropanedioate

C11H18KLiO4 — CID 139411138

IUPAClithium;potassium;2-heptan-2-yl-2-methylpropanedioate
SMILESCCCCCC(C)C(C)(C(=O)[O-])C(=O)[O-].[K+].[Li+]
InChIInChI=1S/C11H20O4.K.Li/c1-4-5-6-7-8(2)11(3,9(12)13)10(14)15;;/h8H,4-7H2,1-3H3,(H,12,13)(H,14,15);;/q;2*+1/p-2
InChIKeyUREXYDJLTQZTAO-UHFFFAOYSA-L
MW260.30 g/mol
LogP-6.28
Rot. Bonds7

About lithium;potassium;2-heptan-2-yl-2-methylpropanedioate

lithium;potassium;2-heptan-2-yl-2-methylpropanedioate (PubChem CID 139411138) has the molecular formula C11H18KLiO4 and a molecular weight of 260.30 g/mol. Its IUPAC name is lithium;potassium;2-heptan-2-yl-2-methylpropanedioate.

Molecular Properties

Compound Namelithium;potassium;2-heptan-2-yl-2-methylpropanedioate
PubChem CID139411138
Molecular FormulaC11H18KLiO4
Molecular Weight260.30 g/mol
Exact Mass260.10
IUPAC Namelithium;potassium;2-heptan-2-yl-2-methylpropanedioate
SMILESCCCCCC(C)C(C)(C(=O)[O-])C(=O)[O-].[K+].[Li+]
InChIInChI=1S/C11H20O4.K.Li/c1-4-5-6-7-8(2)11(3,9(12)13)10(14)15;;/h8H,4-7H2,1-3H3,(H,12,13)(H,14,15);;/q;2*+1/p-2
InChIKeyUREXYDJLTQZTAO-UHFFFAOYSA-L
XLogP-6.28
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-6.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;2-methyl-2-octan-2-ylpropanedioate
CID 139411583
potassium 2,2,3-trimethylheptanoate
CID 175224943
dimethyl 2-decan-2-yl-2-methylpropanedioate
CID 139764919
magnesium 2-butan-2-yl-2-methylpropanedioate
CID 153424031
2,4-dimethyl-3,3-disulfo-2-(trimethylazaniumyl)docosanoate
CID 118353126
magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride
CID 174967737
lithium;potassium;2-octylpropanedioate
CID 139411809
lithium;potassium;2-decylpropanedioate
CID 139411999
dilithium;2-pentylpropanedioate
CID 139411543
potassium 2-ethyldodecanoate
CID 90238812
lithium 2-ethyloctanoate
CID 155386691
7,9-dimethylpentadecane-8,8-disulfonic acid
CID 89439516

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-heptan-2-yl-2-methylpropanedioate?
The IUPAC name of lithium;potassium;2-heptan-2-yl-2-methylpropanedioate (CID 139411138) is lithium;potassium;2-heptan-2-yl-2-methylpropanedioate.
What is the SMILES notation for lithium;potassium;2-heptan-2-yl-2-methylpropanedioate?
The canonical SMILES for lithium;potassium;2-heptan-2-yl-2-methylpropanedioate is CCCCCC(C)C(C)(C(=O)[O-])C(=O)[O-].[K+].[Li+].
What is the InChIKey of lithium;potassium;2-heptan-2-yl-2-methylpropanedioate?
The InChIKey is UREXYDJLTQZTAO-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H20O4.K.Li/c1-4-5-6-7-8(2)11(3,9(12)13)10(14)15;;/h8H,4-7H2,1-3H3,(H,12,13)(H,14,15);;/q;2*+1/p-2.
What are the key properties of lithium;potassium;2-heptan-2-yl-2-methylpropanedioate?
lithium;potassium;2-heptan-2-yl-2-methylpropanedioate has a molecular weight of 260.30 g/mol, XLogP of -6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-heptan-2-yl-2-methylpropanedioate is sourced from PubChem (CID 139411138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).