lithium tridecane

C13H27Li — CID 11321439

IUPAClithium tridecane
SMILES[CH2-]CCCCCCCCCCCC.[Li+]
InChIInChI=1S/C13H27.Li/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h1,3-13H2,2H3;/q-1;+1
InChIKeyICKZZSZFPMMUOP-UHFFFAOYSA-N
MW190.30 g/mol
LogP2.14
Rot. Bonds10

About lithium tridecane

lithium tridecane (PubChem CID 11321439) has the molecular formula C13H27Li and a molecular weight of 190.30 g/mol. Its IUPAC name is lithium tridecane.

Molecular Properties

Compound Namelithium tridecane
PubChem CID11321439
Molecular FormulaC13H27Li
Molecular Weight190.30 g/mol
Exact Mass190.23
IUPAC Namelithium tridecane
SMILES[CH2-]CCCCCCCCCCCC.[Li+]
InChIInChI=1S/C13H27.Li/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h1,3-13H2,2H3;/q-1;+1
InChIKeyICKZZSZFPMMUOP-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium tridecane 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

lithium heptadecane
CID 12950399
lithium;copper(1+);bis(decane)
CID 10937095
heptadecane
CID 156905849
dilithium;carbanide;hexane
CID 174334686
cerium;dodecane
CID 154114371
dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
bis(octane);zinc
CID 175041964
manganese;tetradecane
CID 173260191
tris(heptane);vanadium
CID 59340167
sodium tritriacontane
CID 150964196
tetrakis(heptane);zirconium(4+)
CID 154501032

Frequently Asked Questions

What is the IUPAC name of lithium tridecane?
The IUPAC name of lithium tridecane (CID 11321439) is lithium tridecane.
What is the SMILES notation for lithium tridecane?
The canonical SMILES for lithium tridecane is [CH2-]CCCCCCCCCCCC.[Li+].
What is the InChIKey of lithium tridecane?
The InChIKey is ICKZZSZFPMMUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.Li/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h1,3-13H2,2H3;/q-1;+1.
What are the key properties of lithium tridecane?
lithium tridecane has a molecular weight of 190.30 g/mol, XLogP of 2.14, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tridecane is sourced from PubChem (CID 11321439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).