lithium 1,4-dimethylbenzene-6-ide

C8H9Li — CID 12594331

IUPAClithium 1,4-dimethylbenzene-6-ide
SMILESCc1[c-]cc(C)cc1.[Li+]
InChIInChI=1S/C8H9.Li/c1-7-3-5-8(2)6-4-7;/h3-5H,1-2H3;/q-1;+1
InChIKeyCYYLTJRXIHZVEQ-UHFFFAOYSA-N
MW112.10 g/mol
LogP-0.89
Rot. Bonds

About lithium 1,4-dimethylbenzene-6-ide

lithium 1,4-dimethylbenzene-6-ide (PubChem CID 12594331) has the molecular formula C8H9Li and a molecular weight of 112.10 g/mol. Its IUPAC name is lithium 1,4-dimethylbenzene-6-ide.

Molecular Properties

Compound Namelithium 1,4-dimethylbenzene-6-ide
PubChem CID12594331
Molecular FormulaC8H9Li
Molecular Weight112.10 g/mol
Exact Mass112.09
IUPAC Namelithium 1,4-dimethylbenzene-6-ide
SMILESCc1[c-]cc(C)cc1.[Li+]
InChIInChI=1S/C8H9.Li/c1-7-3-5-8(2)6-4-7;/h3-5H,1-2H3;/q-1;+1
InChIKeyCYYLTJRXIHZVEQ-UHFFFAOYSA-N
XLogP-0.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.10
LogP ≤ 5-0.89
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 1,4-dimethylbenzene-6-ide?
The IUPAC name of lithium 1,4-dimethylbenzene-6-ide (CID 12594331) is lithium 1,4-dimethylbenzene-6-ide.
What is the SMILES notation for lithium 1,4-dimethylbenzene-6-ide?
The canonical SMILES for lithium 1,4-dimethylbenzene-6-ide is Cc1[c-]cc(C)cc1.[Li+].
What is the InChIKey of lithium 1,4-dimethylbenzene-6-ide?
The InChIKey is CYYLTJRXIHZVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.Li/c1-7-3-5-8(2)6-4-7;/h3-5H,1-2H3;/q-1;+1.
What are the key properties of lithium 1,4-dimethylbenzene-6-ide?
lithium 1,4-dimethylbenzene-6-ide has a molecular weight of 112.10 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,4-dimethylbenzene-6-ide is sourced from PubChem (CID 12594331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).