lithium tert-butylbenzene

C10H13Li — CID 10931508

IUPAClithium tert-butylbenzene
SMILESCC(C)(C)c1cc[c-]cc1.[Li+]
InChIInChI=1S/C10H13.Li/c1-10(2,3)9-7-5-4-6-8-9;/h5-8H,1-3H3;/q-1;+1
InChIKeyWCDSTVSFLNYTTJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.21
Rot. Bonds

About lithium tert-butylbenzene

lithium tert-butylbenzene (PubChem CID 10931508) has the molecular formula C10H13Li and a molecular weight of 140.15 g/mol. Its IUPAC name is lithium tert-butylbenzene.

Molecular Properties

Compound Namelithium tert-butylbenzene
PubChem CID10931508
Molecular FormulaC10H13Li
Molecular Weight140.15 g/mol
Exact Mass140.12
IUPAC Namelithium tert-butylbenzene
SMILESCC(C)(C)c1cc[c-]cc1.[Li+]
InChIInChI=1S/C10H13.Li/c1-10(2,3)9-7-5-4-6-8-9;/h5-8H,1-3H3;/q-1;+1
InChIKeyWCDSTVSFLNYTTJ-UHFFFAOYSA-N
XLogP-0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.21
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 tert-butylbenzene?
The IUPAC name of lithium tert-butylbenzene (CID 10931508) is lithium tert-butylbenzene.
What is the SMILES notation for lithium tert-butylbenzene?
The canonical SMILES for lithium tert-butylbenzene is CC(C)(C)c1cc[c-]cc1.[Li+].
What is the InChIKey of lithium tert-butylbenzene?
The InChIKey is WCDSTVSFLNYTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.Li/c1-10(2,3)9-7-5-4-6-8-9;/h5-8H,1-3H3;/q-1;+1.
What are the key properties of lithium tert-butylbenzene?
lithium tert-butylbenzene has a molecular weight of 140.15 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butylbenzene is sourced from PubChem (CID 10931508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).