lithium;potassium;2-tert-butyl-2-propylpropanedioate

C10H16KLiO4 — CID 139411179

IUPAClithium;potassium;2-tert-butyl-2-propylpropanedioate
SMILESCCCC(C(=O)[O-])(C(=O)[O-])C(C)(C)C.[K+].[Li+]
InChIInChI=1S/C10H18O4.K.Li/c1-5-6-10(7(11)12,8(13)14)9(2,3)4;;/h5-6H2,1-4H3,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyPFGXFGJLZNBCRA-UHFFFAOYSA-L
MW246.27 g/mol
LogP-6.67
Rot. Bonds4

About lithium;potassium;2-tert-butyl-2-propylpropanedioate

lithium;potassium;2-tert-butyl-2-propylpropanedioate (PubChem CID 139411179) has the molecular formula C10H16KLiO4 and a molecular weight of 246.27 g/mol. Its IUPAC name is lithium;potassium;2-tert-butyl-2-propylpropanedioate.

Molecular Properties

Compound Namelithium;potassium;2-tert-butyl-2-propylpropanedioate
PubChem CID139411179
Molecular FormulaC10H16KLiO4
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Namelithium;potassium;2-tert-butyl-2-propylpropanedioate
SMILESCCCC(C(=O)[O-])(C(=O)[O-])C(C)(C)C.[K+].[Li+]
InChIInChI=1S/C10H18O4.K.Li/c1-5-6-10(7(11)12,8(13)14)9(2,3)4;;/h5-6H2,1-4H3,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyPFGXFGJLZNBCRA-UHFFFAOYSA-L
XLogP-6.67
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-6.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dilithium;2-tert-butyl-2-heptylpropanedioate
CID 139411367
lithium;sodium;2-tert-butyl-2-pentylpropanedioate
CID 139411371
magnesium 2-tert-butyl-2-undecylpropanedioate
CID 153423754
barium(2+);2-tert-butyl-2-propylpropanedioic acid;hydride
CID 174968802
lithium;sodium;2,2-dipropylpropanedioate
CID 139411996
silver 2,2-dimethylpentanoate
CID 121375132
(2S)-2-ethyl-2-methylpentanoate
CID 86306121
dipotassium;2-benzyl-2-tert-butylpropanedioate
CID 139412006
lithium;potassium;2-dodecyl-2-propylpropanedioate
CID 139412090
silver 2-methyl-2-propylhexanoate
CID 175204967
2-ethyl-2-hydroxypentanoate
CID 18183072
potassium 2,2-dimethylpropanoate
CID 23662159

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-tert-butyl-2-propylpropanedioate?
The IUPAC name of lithium;potassium;2-tert-butyl-2-propylpropanedioate (CID 139411179) is lithium;potassium;2-tert-butyl-2-propylpropanedioate.
What is the SMILES notation for lithium;potassium;2-tert-butyl-2-propylpropanedioate?
The canonical SMILES for lithium;potassium;2-tert-butyl-2-propylpropanedioate is CCCC(C(=O)[O-])(C(=O)[O-])C(C)(C)C.[K+].[Li+].
What is the InChIKey of lithium;potassium;2-tert-butyl-2-propylpropanedioate?
The InChIKey is PFGXFGJLZNBCRA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18O4.K.Li/c1-5-6-10(7(11)12,8(13)14)9(2,3)4;;/h5-6H2,1-4H3,(H,11,12)(H,13,14);;/q;2*+1/p-2.
What are the key properties of lithium;potassium;2-tert-butyl-2-propylpropanedioate?
lithium;potassium;2-tert-butyl-2-propylpropanedioate has a molecular weight of 246.27 g/mol, XLogP of -6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-tert-butyl-2-propylpropanedioate is sourced from PubChem (CID 139411179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).