dilithium;ethenylbenzene

C8H6Li2 — CID 11105342

IUPACdilithium;ethenylbenzene
SMILES[H]/[C-]=C\c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C8H6.2Li/c1-2-8-6-4-3-5-7-8;;/h1-6H;;/q-2;2*+1
InChIKeyRJSMULUESJZVRH-UHFFFAOYSA-N
MW116.02 g/mol
LogP-4.06
Rot. Bonds1

About dilithium;ethenylbenzene

dilithium;ethenylbenzene (PubChem CID 11105342) has the molecular formula C8H6Li2 and a molecular weight of 116.02 g/mol. Its IUPAC name is dilithium;ethenylbenzene.

Molecular Properties

Compound Namedilithium;ethenylbenzene
PubChem CID11105342
Molecular FormulaC8H6Li2
Molecular Weight116.02 g/mol
Exact Mass116.08
IUPAC Namedilithium;ethenylbenzene
SMILES[H]/[C-]=C\c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C8H6.2Li/c1-2-8-6-4-3-5-7-8;;/h1-6H;;/q-2;2*+1
InChIKeyRJSMULUESJZVRH-UHFFFAOYSA-N
XLogP-4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.02
LogP ≤ 5-4.06
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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Related Compounds

p-Xylylene
CID 136327
3-Methylene-1,4-cyclohexadiene
CID 137859
4,4'-Biphenylylenedilithium
CID 81823
5,6-Bis(methylene)-1,3-cyclohexadiene
CID 141735
Methylene, phenyl-
CID 165074
Lithium 2,4,6-trimethylbenzen-1-ide
CID 10953503
Lithium, (2-ethenylphenyl)-
CID 11768531
Lithium 2,6-dimethylbenzen-1-ide
CID 12351268
Lithium 2,5-dimethylbenzen-1-ide
CID 12594331
Lithium 2-ethylbenzen-1-ide
CID 13198607
Lithium 3,5-dimethylbenzen-1-ide
CID 13617821
1-Fluoro-3,6-dimethylidenecyclohexa-1,4-diene
CID 22182860

Frequently Asked Questions

What is the IUPAC name of dilithium;ethenylbenzene?
The IUPAC name of dilithium;ethenylbenzene (CID 11105342) is dilithium;ethenylbenzene.
What is the SMILES notation for dilithium;ethenylbenzene?
The canonical SMILES for dilithium;ethenylbenzene is [H]/[C-]=C\c1[c-]cccc1.[Li+].[Li+].
What is the InChIKey of dilithium;ethenylbenzene?
The InChIKey is RJSMULUESJZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.2Li/c1-2-8-6-4-3-5-7-8;;/h1-6H;;/q-2;2*+1.
What are the key properties of dilithium;ethenylbenzene?
dilithium;ethenylbenzene has a molecular weight of 116.02 g/mol, XLogP of -4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;ethenylbenzene is sourced from PubChem (CID 11105342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).