lithium propan-2-ylbenzene

C9H11Li — CID 13144758

IUPAClithium propan-2-ylbenzene
SMILESCC(C)c1cc[c-]cc1.[Li+]
InChIInChI=1S/C9H11.Li/c1-8(2)9-6-4-3-5-7-9;/h4-8H,1-2H3;/q-1;+1
InChIKeyOUDCCGHQELBHLU-UHFFFAOYSA-N
MW126.13 g/mol
LogP-0.39
Rot. Bonds1

About lithium propan-2-ylbenzene

lithium propan-2-ylbenzene (PubChem CID 13144758) has the molecular formula C9H11Li and a molecular weight of 126.13 g/mol. Its IUPAC name is lithium propan-2-ylbenzene.

Molecular Properties

Compound Namelithium propan-2-ylbenzene
PubChem CID13144758
Molecular FormulaC9H11Li
Molecular Weight126.13 g/mol
Exact Mass126.10
IUPAC Namelithium propan-2-ylbenzene
SMILESCC(C)c1cc[c-]cc1.[Li+]
InChIInChI=1S/C9H11.Li/c1-8(2)9-6-4-3-5-7-9;/h4-8H,1-2H3;/q-1;+1
InChIKeyOUDCCGHQELBHLU-UHFFFAOYSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.39
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 propan-2-ylbenzene?
The IUPAC name of lithium propan-2-ylbenzene (CID 13144758) is lithium propan-2-ylbenzene.
What is the SMILES notation for lithium propan-2-ylbenzene?
The canonical SMILES for lithium propan-2-ylbenzene is CC(C)c1cc[c-]cc1.[Li+].
What is the InChIKey of lithium propan-2-ylbenzene?
The InChIKey is OUDCCGHQELBHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.Li/c1-8(2)9-6-4-3-5-7-9;/h4-8H,1-2H3;/q-1;+1.
What are the key properties of lithium propan-2-ylbenzene?
lithium propan-2-ylbenzene has a molecular weight of 126.13 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium propan-2-ylbenzene is sourced from PubChem (CID 13144758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).