lithium ethenylbenzene

C8H7Li — CID 11768531

IUPAClithium ethenylbenzene
SMILESC=Cc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H7.Li/c1-2-8-6-4-3-5-7-8;/h2-6H,1H2;/q-1;+1
InChIKeyVVEIPNNHAFOHGR-UHFFFAOYSA-N
MW110.09 g/mol
LogP-0.87
Rot. Bonds1

About lithium ethenylbenzene

lithium ethenylbenzene (PubChem CID 11768531) has the molecular formula C8H7Li and a molecular weight of 110.09 g/mol. Its IUPAC name is lithium ethenylbenzene.

Molecular Properties

Compound Namelithium ethenylbenzene
PubChem CID11768531
Molecular FormulaC8H7Li
Molecular Weight110.09 g/mol
Exact Mass110.07
IUPAC Namelithium ethenylbenzene
SMILESC=Cc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H7.Li/c1-2-8-6-4-3-5-7-8;/h2-6H,1H2;/q-1;+1
InChIKeyVVEIPNNHAFOHGR-UHFFFAOYSA-N
XLogP-0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.09
LogP ≤ 5-0.87
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 ethenylbenzene?
The IUPAC name of lithium ethenylbenzene (CID 11768531) is lithium ethenylbenzene.
What is the SMILES notation for lithium ethenylbenzene?
The canonical SMILES for lithium ethenylbenzene is C=Cc1[c-]cccc1.[Li+].
What is the InChIKey of lithium ethenylbenzene?
The InChIKey is VVEIPNNHAFOHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7.Li/c1-2-8-6-4-3-5-7-8;/h2-6H,1H2;/q-1;+1.
What are the key properties of lithium ethenylbenzene?
lithium ethenylbenzene has a molecular weight of 110.09 g/mol, XLogP of -0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethenylbenzene is sourced from PubChem (CID 11768531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).