dilithium bis(2-methylpropanoate)

C8H14Li2O4 — CID 86626069

IUPACdilithium bis(2-methylpropanoate)
SMILESCC(C)C(=O)[O-].CC(C)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/2C4H8O2.2Li/c2*1-3(2)4(5)6;;/h2*3H,1-2H3,(H,5,6);;/q;;2*+1/p-2
InChIKeyCCBNITHLXWXEPB-UHFFFAOYSA-L
MW188.08 g/mol
LogP-7.21
Rot. Bonds2

About dilithium bis(2-methylpropanoate)

dilithium bis(2-methylpropanoate) (PubChem CID 86626069) has the molecular formula C8H14Li2O4 and a molecular weight of 188.08 g/mol. Its IUPAC name is dilithium bis(2-methylpropanoate).

Molecular Properties

Compound Namedilithium bis(2-methylpropanoate)
PubChem CID86626069
Molecular FormulaC8H14Li2O4
Molecular Weight188.08 g/mol
Exact Mass188.12
IUPAC Namedilithium bis(2-methylpropanoate)
SMILESCC(C)C(=O)[O-].CC(C)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/2C4H8O2.2Li/c2*1-3(2)4(5)6;;/h2*3H,1-2H3,(H,5,6);;/q;;2*+1/p-2
InChIKeyCCBNITHLXWXEPB-UHFFFAOYSA-L
XLogP-7.21
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 5-7.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dilithium bis(2-methylpropanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium bis(2-methylpropanoate)
CID 102602609
barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
lithium;sodium;2-methylpropanoate;propanoate
CID 22366595
dilithium;2-methylpropanedioate
CID 87066943
dioxozirconium;pentakis(2-methylpropanoate);2-methylpropanoic acid;hydrate
CID 162280682
ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)
CID 174680586
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
disilver;2-methylpropanedioate
CID 121393244
lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate
CID 175336599
2-hydroxypropanoate;tantalum(5+)
CID 172796362
iodanium 2-hydroxypropanoate
CID 158316585

Frequently Asked Questions

What is the IUPAC name of dilithium bis(2-methylpropanoate)?
The IUPAC name of dilithium bis(2-methylpropanoate) (CID 86626069) is dilithium bis(2-methylpropanoate).
What is the SMILES notation for dilithium bis(2-methylpropanoate)?
The canonical SMILES for dilithium bis(2-methylpropanoate) is CC(C)C(=O)[O-].CC(C)C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium bis(2-methylpropanoate)?
The InChIKey is CCBNITHLXWXEPB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2.2Li/c2*1-3(2)4(5)6;;/h2*3H,1-2H3,(H,5,6);;/q;;2*+1/p-2.
What are the key properties of dilithium bis(2-methylpropanoate)?
dilithium bis(2-methylpropanoate) has a molecular weight of 188.08 g/mol, XLogP of -7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(2-methylpropanoate) is sourced from PubChem (CID 86626069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).