lithium;nonane;propanedioic acid

C12H23LiO4 — CID 174967507

IUPAClithium;nonane;propanedioic acid
SMILESC[CH-]CCCCCCC.O=C(O)CC(=O)O.[Li+]
InChIInChI=1S/C9H19.C3H4O4.Li/c1-3-5-7-9-8-6-4-2;4-2(5)1-3(6)7;/h3H,4-9H2,1-2H3;1H2,(H,4,5)(H,6,7);/q-1;;+1
InChIKeyKMBLNMAGYXIOMU-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.12
Rot. Bonds8

About lithium;nonane;propanedioic acid

lithium;nonane;propanedioic acid (PubChem CID 174967507) has the molecular formula C12H23LiO4 and a molecular weight of 238.25 g/mol. Its IUPAC name is lithium;nonane;propanedioic acid.

Molecular Properties

Compound Namelithium;nonane;propanedioic acid
PubChem CID174967507
Molecular FormulaC12H23LiO4
Molecular Weight238.25 g/mol
Exact Mass238.18
IUPAC Namelithium;nonane;propanedioic acid
SMILESC[CH-]CCCCCCC.O=C(O)CC(=O)O.[Li+]
InChIInChI=1S/C9H19.C3H4O4.Li/c1-3-5-7-9-8-6-4-2;4-2(5)1-3(6)7;/h3H,4-9H2,1-2H3;1H2,(H,4,5)(H,6,7);/q-1;;+1
InChIKeyKMBLNMAGYXIOMU-UHFFFAOYSA-N
XLogP0.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium;nonane;propanedioic acid 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

undecane
CID 91018991
octane;titanium
CID 174186128
octadecanoic acid;propanedioic acid
CID 159340862
bromozinc(1+);dodecane
CID 146001615
sodium;dodecane;propanedioic acid
CID 174969045
lithium;sodium;butane;hydride;propanedioic acid
CID 174968637
lithium;5-methylheptadecane;propanedioic acid
CID 174967888
magnesium;carbanide;nonane;hydrochloride
CID 88770024
decane;propanoic acid
CID 158826686
CID 57488644
CID 57488644
CID 87141446
CID 87141446
butan-1-ol;propanedioic acid
CID 174602760

Frequently Asked Questions

What is the IUPAC name of lithium;nonane;propanedioic acid?
The IUPAC name of lithium;nonane;propanedioic acid (CID 174967507) is lithium;nonane;propanedioic acid.
What is the SMILES notation for lithium;nonane;propanedioic acid?
The canonical SMILES for lithium;nonane;propanedioic acid is C[CH-]CCCCCCC.O=C(O)CC(=O)O.[Li+].
What is the InChIKey of lithium;nonane;propanedioic acid?
The InChIKey is KMBLNMAGYXIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19.C3H4O4.Li/c1-3-5-7-9-8-6-4-2;4-2(5)1-3(6)7;/h3H,4-9H2,1-2H3;1H2,(H,4,5)(H,6,7);/q-1;;+1.
What are the key properties of lithium;nonane;propanedioic acid?
lithium;nonane;propanedioic acid has a molecular weight of 238.25 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;nonane;propanedioic acid is sourced from PubChem (CID 174967507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).