dilithium;2-methylpropanedioate

C4H4Li2O4 — CID 87066943

IUPACdilithium;2-methylpropanedioate
SMILESCC(C(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C4H6O4.2Li/c1-2(3(5)6)4(7)8;;/h2H,1H3,(H,5,6)(H,7,8);;/q;2*+1/p-2
InChIKeyBNINXOHPWKZWCA-UHFFFAOYSA-L
MW129.95 g/mol
LogP-8.87
Rot. Bonds2

About dilithium;2-methylpropanedioate

dilithium;2-methylpropanedioate (PubChem CID 87066943) has the molecular formula C4H4Li2O4 and a molecular weight of 129.95 g/mol. Its IUPAC name is dilithium;2-methylpropanedioate.

Molecular Properties

Compound Namedilithium;2-methylpropanedioate
PubChem CID87066943
Molecular FormulaC4H4Li2O4
Molecular Weight129.95 g/mol
Exact Mass130.04
IUPAC Namedilithium;2-methylpropanedioate
SMILESCC(C(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C4H6O4.2Li/c1-2(3(5)6)4(7)8;;/h2H,1H3,(H,5,6)(H,7,8);;/q;2*+1/p-2
InChIKeyBNINXOHPWKZWCA-UHFFFAOYSA-L
XLogP-8.87
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.95
LogP ≤ 5-8.87
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

disilver;2-methylpropanedioate
CID 121393244
dilithium bis(2-methylpropanoate)
CID 86626069
3-hydroxy-2-methyl-3-oxopropanoate
CID 5461058
sodium 2-methyl-3-oxobutanoate
CID 23705742
carbanylium;methane;2-methyl-3-oxobutanoate
CID 157226748
sodium 3-amino-2-methyl-3-oxopropanoate
CID 141024014
barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
calcium bis(2-methylpropanoate)
CID 102602609
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
dialuminum;tris(2-methyl-3-oxobutanoate);tris(propan-2-olate)
CID 22382793
platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)
CID 174049170

Frequently Asked Questions

What is the IUPAC name of dilithium;2-methylpropanedioate?
The IUPAC name of dilithium;2-methylpropanedioate (CID 87066943) is dilithium;2-methylpropanedioate.
What is the SMILES notation for dilithium;2-methylpropanedioate?
The canonical SMILES for dilithium;2-methylpropanedioate is CC(C(=O)[O-])C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-methylpropanedioate?
The InChIKey is BNINXOHPWKZWCA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O4.2Li/c1-2(3(5)6)4(7)8;;/h2H,1H3,(H,5,6)(H,7,8);;/q;2*+1/p-2.
What are the key properties of dilithium;2-methylpropanedioate?
dilithium;2-methylpropanedioate has a molecular weight of 129.95 g/mol, XLogP of -8.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-methylpropanedioate is sourced from PubChem (CID 87066943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).