lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene

C12H11Li — CID 71443344

IUPAClithium (3-methylcyclopenta-1,4-dien-1-yl)benzene
SMILESC[c-]1ccc(-c2ccccc2)c1.[Li+]
InChIInChI=1S/C12H11.Li/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;/h2-9H,1H3;/q-1;+1
InChIKeyXFJXSHHITGTSBT-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.38
Rot. Bonds1

About lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene

lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 71443344) has the molecular formula C12H11Li and a molecular weight of 162.16 g/mol. Its IUPAC name is lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Namelithium (3-methylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID71443344
Molecular FormulaC12H11Li
Molecular Weight162.16 g/mol
Exact Mass162.10
IUPAC Namelithium (3-methylcyclopenta-1,4-dien-1-yl)benzene
SMILESC[c-]1ccc(-c2ccccc2)c1.[Li+]
InChIInChI=1S/C12H11.Li/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;/h2-9H,1H3;/q-1;+1
InChIKeyXFJXSHHITGTSBT-UHFFFAOYSA-N
XLogP0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.38
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

(3-methylcyclopenta-1,4-dien-1-yl)benzene
CID 123646897
lithium (3-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 71443345
bis(1,1'-biphenyl);sulfane
CID 22247507
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
CID 162140615
CID 162140615
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
1,1'-biphenyl;hydroiodide
CID 66586334

Frequently Asked Questions

What is the IUPAC name of lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene (CID 71443344) is lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene is C[c-]1ccc(-c2ccccc2)c1.[Li+].
What is the InChIKey of lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is XFJXSHHITGTSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11.Li/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;/h2-9H,1H3;/q-1;+1.
What are the key properties of lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene?
lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 162.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3-methylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 71443344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).