lithium methylbenzene

C7H7Li — CID 11788265

IUPAClithium methylbenzene
SMILESCc1[c-]cccc1.[Li+]
InChIInChI=1S/C7H7.Li/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;+1
InChIKeyASVRNKHPKFRWEP-UHFFFAOYSA-N
MW98.07 g/mol
LogP-1.20
Rot. Bonds

About lithium methylbenzene

lithium methylbenzene (PubChem CID 11788265) has the molecular formula C7H7Li and a molecular weight of 98.07 g/mol. Its IUPAC name is lithium methylbenzene.

Molecular Properties

Compound Namelithium methylbenzene
PubChem CID11788265
Molecular FormulaC7H7Li
Molecular Weight98.07 g/mol
Exact Mass98.07
IUPAC Namelithium methylbenzene
SMILESCc1[c-]cccc1.[Li+]
InChIInChI=1S/C7H7.Li/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;+1
InChIKeyASVRNKHPKFRWEP-UHFFFAOYSA-N
XLogP-1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.07
LogP ≤ 5-1.20
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 methylbenzene?
The IUPAC name of lithium methylbenzene (CID 11788265) is lithium methylbenzene.
What is the SMILES notation for lithium methylbenzene?
The canonical SMILES for lithium methylbenzene is Cc1[c-]cccc1.[Li+].
What is the InChIKey of lithium methylbenzene?
The InChIKey is ASVRNKHPKFRWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.Li/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;+1.
What are the key properties of lithium methylbenzene?
lithium methylbenzene has a molecular weight of 98.07 g/mol, XLogP of -1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methylbenzene is sourced from PubChem (CID 11788265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).