lithium 1,2,3,4,5-pentamethylbenzene-6-ide

C11H15Li — CID 21335191

IUPAClithium 1,2,3,4,5-pentamethylbenzene-6-ide
SMILESCc1[c-]c(C)c(C)c(C)c1C.[Li+]
InChIInChI=1S/C11H15.Li/c1-7-6-8(2)10(4)11(5)9(7)3;/h1-5H3;/q-1;+1
InChIKeyUADLRMCOWXFIHP-UHFFFAOYSA-N
MW154.18 g/mol
LogP0.03
Rot. Bonds

About lithium 1,2,3,4,5-pentamethylbenzene-6-ide

lithium 1,2,3,4,5-pentamethylbenzene-6-ide (PubChem CID 21335191) has the molecular formula C11H15Li and a molecular weight of 154.18 g/mol. Its IUPAC name is lithium 1,2,3,4,5-pentamethylbenzene-6-ide.

Molecular Properties

Compound Namelithium 1,2,3,4,5-pentamethylbenzene-6-ide
PubChem CID21335191
Molecular FormulaC11H15Li
Molecular Weight154.18 g/mol
Exact Mass154.13
IUPAC Namelithium 1,2,3,4,5-pentamethylbenzene-6-ide
SMILESCc1[c-]c(C)c(C)c(C)c1C.[Li+]
InChIInChI=1S/C11H15.Li/c1-7-6-8(2)10(4)11(5)9(7)3;/h1-5H3;/q-1;+1
InChIKeyUADLRMCOWXFIHP-UHFFFAOYSA-N
XLogP0.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 50.03
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 1,2,3,4,5-pentamethylbenzene-6-ide?
The IUPAC name of lithium 1,2,3,4,5-pentamethylbenzene-6-ide (CID 21335191) is lithium 1,2,3,4,5-pentamethylbenzene-6-ide.
What is the SMILES notation for lithium 1,2,3,4,5-pentamethylbenzene-6-ide?
The canonical SMILES for lithium 1,2,3,4,5-pentamethylbenzene-6-ide is Cc1[c-]c(C)c(C)c(C)c1C.[Li+].
What is the InChIKey of lithium 1,2,3,4,5-pentamethylbenzene-6-ide?
The InChIKey is UADLRMCOWXFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.Li/c1-7-6-8(2)10(4)11(5)9(7)3;/h1-5H3;/q-1;+1.
What are the key properties of lithium 1,2,3,4,5-pentamethylbenzene-6-ide?
lithium 1,2,3,4,5-pentamethylbenzene-6-ide has a molecular weight of 154.18 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,3,4,5-pentamethylbenzene-6-ide is sourced from PubChem (CID 21335191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).