lithium;butanedioic acid;6-hydroxy-6-oxohexanoate

C10H15LiO8 — CID 175049997

IUPAClithium;butanedioic acid;6-hydroxy-6-oxohexanoate
SMILESO=C(O)CCC(=O)O.O=C([O-])CCCCC(=O)O.[Li+]
InChIInChI=1S/C6H10O4.C4H6O4.Li/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;/h1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8);/q;;+1/p-1
InChIKeyNVQBFHMXASZAMF-UHFFFAOYSA-M
MW270.16 g/mol
LogP-3.68
Rot. Bonds8

About lithium;butanedioic acid;6-hydroxy-6-oxohexanoate

lithium;butanedioic acid;6-hydroxy-6-oxohexanoate (PubChem CID 175049997) has the molecular formula C10H15LiO8 and a molecular weight of 270.16 g/mol. Its IUPAC name is lithium;butanedioic acid;6-hydroxy-6-oxohexanoate.

Molecular Properties

Compound Namelithium;butanedioic acid;6-hydroxy-6-oxohexanoate
PubChem CID175049997
Molecular FormulaC10H15LiO8
Molecular Weight270.16 g/mol
Exact Mass270.09
IUPAC Namelithium;butanedioic acid;6-hydroxy-6-oxohexanoate
SMILESO=C(O)CCC(=O)O.O=C([O-])CCCCC(=O)O.[Li+]
InChIInChI=1S/C6H10O4.C4H6O4.Li/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;/h1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8);/q;;+1/p-1
InChIKeyNVQBFHMXASZAMF-UHFFFAOYSA-M
XLogP-3.68
TPSA152.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 5-3.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze lithium;butanedioic acid;6-hydroxy-6-oxohexanoate 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

hexanedioate;hexanedioic acid
CID 90469810
diazanium;hexanedioate;hexanedioic acid
CID 159515789
disodium;butanedioic acid;hexanedioate
CID 163708561
7-hydroxy-7-oxoheptanoate
CID 5459958
dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate
CID 158109252
lithium;hexanedioate;hydron
CID 87066964
potassium;hexanoate;hexanoic acid
CID 175726310
aluminum;tris(hexanoate);nonadecakis(hexanoic acid)
CID 175347861
lithium;6-hydroxy-6-oxohexanoate;prop-2-enamide
CID 175027338
calcium bis(4-hydroxy-4-oxobutanoate)
CID 88814404
pentakis(4-hydroxy-4-oxobutanoate);niobium(5+)
CID 161140385
sodium;hexadecanoate;hexadecanoic acid
CID 159365282

Frequently Asked Questions

What is the IUPAC name of lithium;butanedioic acid;6-hydroxy-6-oxohexanoate?
The IUPAC name of lithium;butanedioic acid;6-hydroxy-6-oxohexanoate (CID 175049997) is lithium;butanedioic acid;6-hydroxy-6-oxohexanoate.
What is the SMILES notation for lithium;butanedioic acid;6-hydroxy-6-oxohexanoate?
The canonical SMILES for lithium;butanedioic acid;6-hydroxy-6-oxohexanoate is O=C(O)CCC(=O)O.O=C([O-])CCCCC(=O)O.[Li+].
What is the InChIKey of lithium;butanedioic acid;6-hydroxy-6-oxohexanoate?
The InChIKey is NVQBFHMXASZAMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O4.C4H6O4.Li/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;/h1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8);/q;;+1/p-1.
What are the key properties of lithium;butanedioic acid;6-hydroxy-6-oxohexanoate?
lithium;butanedioic acid;6-hydroxy-6-oxohexanoate has a molecular weight of 270.16 g/mol, XLogP of -3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butanedioic acid;6-hydroxy-6-oxohexanoate is sourced from PubChem (CID 175049997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).