lithium butan-2-ylbenzene

C10H13Li — CID 140588909

IUPAClithium butan-2-ylbenzene
SMILESCCC(C)c1[c-]cccc1.[Li+]
InChIInChI=1S/C10H13.Li/c1-3-9(2)10-7-5-4-6-8-10;/h4-7,9H,3H2,1-2H3;/q-1;+1
InChIKeyWLGIZIINLKHPJO-UHFFFAOYSA-N
MW140.15 g/mol
LogP0.00
Rot. Bonds2

About lithium butan-2-ylbenzene

lithium butan-2-ylbenzene (PubChem CID 140588909) has the molecular formula C10H13Li and a molecular weight of 140.15 g/mol. Its IUPAC name is lithium butan-2-ylbenzene.

Molecular Properties

Compound Namelithium butan-2-ylbenzene
PubChem CID140588909
Molecular FormulaC10H13Li
Molecular Weight140.15 g/mol
Exact Mass140.12
IUPAC Namelithium butan-2-ylbenzene
SMILESCCC(C)c1[c-]cccc1.[Li+]
InChIInChI=1S/C10H13.Li/c1-3-9(2)10-7-5-4-6-8-10;/h4-7,9H,3H2,1-2H3;/q-1;+1
InChIKeyWLGIZIINLKHPJO-UHFFFAOYSA-N
XLogP0.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze lithium butan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium butan-2-ylbenzene?
The IUPAC name of lithium butan-2-ylbenzene (CID 140588909) is lithium butan-2-ylbenzene.
What is the SMILES notation for lithium butan-2-ylbenzene?
The canonical SMILES for lithium butan-2-ylbenzene is CCC(C)c1[c-]cccc1.[Li+].
What is the InChIKey of lithium butan-2-ylbenzene?
The InChIKey is WLGIZIINLKHPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.Li/c1-3-9(2)10-7-5-4-6-8-10;/h4-7,9H,3H2,1-2H3;/q-1;+1.
What are the key properties of lithium butan-2-ylbenzene?
lithium butan-2-ylbenzene has a molecular weight of 140.15 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium butan-2-ylbenzene is sourced from PubChem (CID 140588909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).