lithium ethylbenzene

C8H9Li — CID 10964442

IUPAClithium ethylbenzene
SMILES[CH2-]Cc1ccccc1.[Li+]
InChIInChI=1S/C8H9.Li/c1-2-8-6-4-3-5-7-8;/h3-7H,1-2H2;/q-1;+1
InChIKeyQUUIRSJRHYKLOG-UHFFFAOYSA-N
MW112.10 g/mol
LogP-0.93
Rot. Bonds1

About lithium ethylbenzene

lithium ethylbenzene (PubChem CID 10964442) has the molecular formula C8H9Li and a molecular weight of 112.10 g/mol. Its IUPAC name is lithium ethylbenzene.

Molecular Properties

Compound Namelithium ethylbenzene
PubChem CID10964442
Molecular FormulaC8H9Li
Molecular Weight112.10 g/mol
Exact Mass112.09
IUPAC Namelithium ethylbenzene
SMILES[CH2-]Cc1ccccc1.[Li+]
InChIInChI=1S/C8H9.Li/c1-2-8-6-4-3-5-7-8;/h3-7H,1-2H2;/q-1;+1
InChIKeyQUUIRSJRHYKLOG-UHFFFAOYSA-N
XLogP-0.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.10
LogP ≤ 5-0.93
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 ethylbenzene?
The IUPAC name of lithium ethylbenzene (CID 10964442) is lithium ethylbenzene.
What is the SMILES notation for lithium ethylbenzene?
The canonical SMILES for lithium ethylbenzene is [CH2-]Cc1ccccc1.[Li+].
What is the InChIKey of lithium ethylbenzene?
The InChIKey is QUUIRSJRHYKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.Li/c1-2-8-6-4-3-5-7-8;/h3-7H,1-2H2;/q-1;+1.
What are the key properties of lithium ethylbenzene?
lithium ethylbenzene has a molecular weight of 112.10 g/mol, XLogP of -0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethylbenzene is sourced from PubChem (CID 10964442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).