lithium 1,2,4,5-tetramethylbenzene-6-ide

C10H13Li — CID 13077031

IUPAClithium 1,2,4,5-tetramethylbenzene-6-ide
SMILESCc1[c-]c(C)c(C)cc1C.[Li+]
InChIInChI=1S/C10H13.Li/c1-7-5-9(3)10(4)6-8(7)2;/h5H,1-4H3;/q-1;+1
InChIKeyUIQZKGIANBUWTH-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.28
Rot. Bonds

About lithium 1,2,4,5-tetramethylbenzene-6-ide

lithium 1,2,4,5-tetramethylbenzene-6-ide (PubChem CID 13077031) has the molecular formula C10H13Li and a molecular weight of 140.15 g/mol. Its IUPAC name is lithium 1,2,4,5-tetramethylbenzene-6-ide.

Molecular Properties

Compound Namelithium 1,2,4,5-tetramethylbenzene-6-ide
PubChem CID13077031
Molecular FormulaC10H13Li
Molecular Weight140.15 g/mol
Exact Mass140.12
IUPAC Namelithium 1,2,4,5-tetramethylbenzene-6-ide
SMILESCc1[c-]c(C)c(C)cc1C.[Li+]
InChIInChI=1S/C10H13.Li/c1-7-5-9(3)10(4)6-8(7)2;/h5H,1-4H3;/q-1;+1
InChIKeyUIQZKGIANBUWTH-UHFFFAOYSA-N
XLogP-0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1,2,4,5-tetramethylbenzene-6-ide?
The IUPAC name of lithium 1,2,4,5-tetramethylbenzene-6-ide (CID 13077031) is lithium 1,2,4,5-tetramethylbenzene-6-ide.
What is the SMILES notation for lithium 1,2,4,5-tetramethylbenzene-6-ide?
The canonical SMILES for lithium 1,2,4,5-tetramethylbenzene-6-ide is Cc1[c-]c(C)c(C)cc1C.[Li+].
What is the InChIKey of lithium 1,2,4,5-tetramethylbenzene-6-ide?
The InChIKey is UIQZKGIANBUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.Li/c1-7-5-9(3)10(4)6-8(7)2;/h5H,1-4H3;/q-1;+1.
What are the key properties of lithium 1,2,4,5-tetramethylbenzene-6-ide?
lithium 1,2,4,5-tetramethylbenzene-6-ide has a molecular weight of 140.15 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,4,5-tetramethylbenzene-6-ide is sourced from PubChem (CID 13077031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).