lithium 1-methoxy-4-methylbenzene-6-ide

C8H9LiO — CID 10887914

IUPAClithium 1-methoxy-4-methylbenzene-6-ide
SMILESCOc1[c-]cc(C)cc1.[Li+]
InChIInChI=1S/C8H9O.Li/c1-7-3-5-8(9-2)6-4-7;/h3-5H,1-2H3;/q-1;+1
InChIKeyGLHDOUUQSIWIMM-UHFFFAOYSA-N
MW128.10 g/mol
LogP-1.19
Rot. Bonds1

About lithium 1-methoxy-4-methylbenzene-6-ide

lithium 1-methoxy-4-methylbenzene-6-ide (PubChem CID 10887914) has the molecular formula C8H9LiO and a molecular weight of 128.10 g/mol. Its IUPAC name is lithium 1-methoxy-4-methylbenzene-6-ide.

Molecular Properties

Compound Namelithium 1-methoxy-4-methylbenzene-6-ide
PubChem CID10887914
Molecular FormulaC8H9LiO
Molecular Weight128.10 g/mol
Exact Mass128.08
IUPAC Namelithium 1-methoxy-4-methylbenzene-6-ide
SMILESCOc1[c-]cc(C)cc1.[Li+]
InChIInChI=1S/C8H9O.Li/c1-7-3-5-8(9-2)6-4-7;/h3-5H,1-2H3;/q-1;+1
InChIKeyGLHDOUUQSIWIMM-UHFFFAOYSA-N
XLogP-1.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methoxy-4-methylbenzene-6-ide?
The IUPAC name of lithium 1-methoxy-4-methylbenzene-6-ide (CID 10887914) is lithium 1-methoxy-4-methylbenzene-6-ide.
What is the SMILES notation for lithium 1-methoxy-4-methylbenzene-6-ide?
The canonical SMILES for lithium 1-methoxy-4-methylbenzene-6-ide is COc1[c-]cc(C)cc1.[Li+].
What is the InChIKey of lithium 1-methoxy-4-methylbenzene-6-ide?
The InChIKey is GLHDOUUQSIWIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Li/c1-7-3-5-8(9-2)6-4-7;/h3-5H,1-2H3;/q-1;+1.
What are the key properties of lithium 1-methoxy-4-methylbenzene-6-ide?
lithium 1-methoxy-4-methylbenzene-6-ide has a molecular weight of 128.10 g/mol, XLogP of -1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methoxy-4-methylbenzene-6-ide is sourced from PubChem (CID 10887914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).