dilithium;2-oxo-4-propylpentanedioate

C8H10Li2O5 — CID 11805719

IUPACdilithium;2-oxo-4-propylpentanedioate
SMILESCCCC(CC(=O)C(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C8H12O5.2Li/c1-2-3-5(7(10)11)4-6(9)8(12)13;;/h5H,2-4H2,1H3,(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKeyOYLJRLGZEXCLOZ-UHFFFAOYSA-L
MW200.04 g/mol
LogP-8.13
Rot. Bonds6

About dilithium;2-oxo-4-propylpentanedioate

dilithium;2-oxo-4-propylpentanedioate (PubChem CID 11805719) has the molecular formula C8H10Li2O5 and a molecular weight of 200.04 g/mol. Its IUPAC name is dilithium;2-oxo-4-propylpentanedioate.

Molecular Properties

Compound Namedilithium;2-oxo-4-propylpentanedioate
PubChem CID11805719
Molecular FormulaC8H10Li2O5
Molecular Weight200.04 g/mol
Exact Mass200.08
IUPAC Namedilithium;2-oxo-4-propylpentanedioate
SMILESCCCC(CC(=O)C(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C8H12O5.2Li/c1-2-3-5(7(10)11)4-6(9)8(12)13;;/h5H,2-4H2,1H3,(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKeyOYLJRLGZEXCLOZ-UHFFFAOYSA-L
XLogP-8.13
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 5-8.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

dilithium bis(2-propylpentanoate)
CID 140557398
magnesium bis(2-propylpentanoate)
CID 13327120
dilithium;2-[3-(methylamino)-3-oxopropyl]-4-oxopentanedioate
CID 44568727
dilithium;2-oxo-3-propylpentanedioate
CID 23628472
lithium;potassium;2-propylpropanedioate
CID 139411515
2-(methoxymethyl)pentanoate
CID 19753396
sodium 5-hydroxy-5-oxo-2-propylpentanoate
CID 159698974
magnesium bis(2-propyldodecanoate)
CID 21393972
lithium 2-ethylbutanoate
CID 23681528
lithium 2-methylpentanoate
CID 122554466
dipotassium;2-ethylbutanedioate
CID 172823194
sodium (2R)-7-oxo-2-propyloctanoate
CID 87583570

Frequently Asked Questions

What is the IUPAC name of dilithium;2-oxo-4-propylpentanedioate?
The IUPAC name of dilithium;2-oxo-4-propylpentanedioate (CID 11805719) is dilithium;2-oxo-4-propylpentanedioate.
What is the SMILES notation for dilithium;2-oxo-4-propylpentanedioate?
The canonical SMILES for dilithium;2-oxo-4-propylpentanedioate is CCCC(CC(=O)C(=O)[O-])C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-oxo-4-propylpentanedioate?
The InChIKey is OYLJRLGZEXCLOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H12O5.2Li/c1-2-3-5(7(10)11)4-6(9)8(12)13;;/h5H,2-4H2,1H3,(H,10,11)(H,12,13);;/q;2*+1/p-2.
What are the key properties of dilithium;2-oxo-4-propylpentanedioate?
dilithium;2-oxo-4-propylpentanedioate has a molecular weight of 200.04 g/mol, XLogP of -8.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-oxo-4-propylpentanedioate is sourced from PubChem (CID 11805719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).