lithium 1,3,5-trimethylbenzene-6-ide

C9H11Li — CID 10953503

IUPAClithium 1,3,5-trimethylbenzene-6-ide
SMILESCc1[c-]c(C)cc(C)c1.[Li+]
InChIInChI=1S/C9H11.Li/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;/q-1;+1
InChIKeyRQLKAKQYERUOJD-UHFFFAOYSA-N
MW126.13 g/mol
LogP-0.58
Rot. Bonds

About lithium 1,3,5-trimethylbenzene-6-ide

lithium 1,3,5-trimethylbenzene-6-ide (PubChem CID 10953503) has the molecular formula C9H11Li and a molecular weight of 126.13 g/mol. Its IUPAC name is lithium 1,3,5-trimethylbenzene-6-ide.

Molecular Properties

Compound Namelithium 1,3,5-trimethylbenzene-6-ide
PubChem CID10953503
Molecular FormulaC9H11Li
Molecular Weight126.13 g/mol
Exact Mass126.10
IUPAC Namelithium 1,3,5-trimethylbenzene-6-ide
SMILESCc1[c-]c(C)cc(C)c1.[Li+]
InChIInChI=1S/C9H11.Li/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;/q-1;+1
InChIKeyRQLKAKQYERUOJD-UHFFFAOYSA-N
XLogP-0.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.58
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 1,3,5-trimethylbenzene-6-ide?
The IUPAC name of lithium 1,3,5-trimethylbenzene-6-ide (CID 10953503) is lithium 1,3,5-trimethylbenzene-6-ide.
What is the SMILES notation for lithium 1,3,5-trimethylbenzene-6-ide?
The canonical SMILES for lithium 1,3,5-trimethylbenzene-6-ide is Cc1[c-]c(C)cc(C)c1.[Li+].
What is the InChIKey of lithium 1,3,5-trimethylbenzene-6-ide?
The InChIKey is RQLKAKQYERUOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.Li/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;/q-1;+1.
What are the key properties of lithium 1,3,5-trimethylbenzene-6-ide?
lithium 1,3,5-trimethylbenzene-6-ide has a molecular weight of 126.13 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,3,5-trimethylbenzene-6-ide is sourced from PubChem (CID 10953503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).