lithium;hexanedioate;hydron

C6H9LiO4 — CID 87066964

IUPAClithium;hexanedioate;hydron
SMILESO=C([O-])CCCCC(=O)[O-].[H+].[Li+]
InChIInChI=1S/C6H10O4.Li/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyUMGSQVCDARTNOO-UHFFFAOYSA-M
MW152.08 g/mol
LogP-4.84
Rot. Bonds5

About lithium;hexanedioate;hydron

lithium;hexanedioate;hydron (PubChem CID 87066964) has the molecular formula C6H9LiO4 and a molecular weight of 152.08 g/mol. Its IUPAC name is lithium;hexanedioate;hydron.

Molecular Properties

Compound Namelithium;hexanedioate;hydron
PubChem CID87066964
Molecular FormulaC6H9LiO4
Molecular Weight152.08 g/mol
Exact Mass152.07
IUPAC Namelithium;hexanedioate;hydron
SMILESO=C([O-])CCCCC(=O)[O-].[H+].[Li+]
InChIInChI=1S/C6H10O4.Li/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKeyUMGSQVCDARTNOO-UHFFFAOYSA-M
XLogP-4.84
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 5-4.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);hexanedioate
CID 19376883
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758
tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289

Frequently Asked Questions

What is the IUPAC name of lithium;hexanedioate;hydron?
The IUPAC name of lithium;hexanedioate;hydron (CID 87066964) is lithium;hexanedioate;hydron.
What is the SMILES notation for lithium;hexanedioate;hydron?
The canonical SMILES for lithium;hexanedioate;hydron is O=C([O-])CCCCC(=O)[O-].[H+].[Li+].
What is the InChIKey of lithium;hexanedioate;hydron?
The InChIKey is UMGSQVCDARTNOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O4.Li/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+1/p-1.
What are the key properties of lithium;hexanedioate;hydron?
lithium;hexanedioate;hydron has a molecular weight of 152.08 g/mol, XLogP of -4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hexanedioate;hydron is sourced from PubChem (CID 87066964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).