lithium 1-methoxy-3,5-dimethylbenzene-4-ide

C9H11LiO — CID 14943724

IUPAClithium 1-methoxy-3,5-dimethylbenzene-4-ide
SMILESCOc1cc(C)[c-]c(C)c1.[Li+]
InChIInChI=1S/C9H11O.Li/c1-7-4-8(2)6-9(5-7)10-3;/h5-6H,1-3H3;/q-1;+1
InChIKeyUSCLXJWKBRJARL-UHFFFAOYSA-N
MW142.13 g/mol
LogP-0.88
Rot. Bonds1

About lithium 1-methoxy-3,5-dimethylbenzene-4-ide

lithium 1-methoxy-3,5-dimethylbenzene-4-ide (PubChem CID 14943724) has the molecular formula C9H11LiO and a molecular weight of 142.13 g/mol. Its IUPAC name is lithium 1-methoxy-3,5-dimethylbenzene-4-ide.

Molecular Properties

Compound Namelithium 1-methoxy-3,5-dimethylbenzene-4-ide
PubChem CID14943724
Molecular FormulaC9H11LiO
Molecular Weight142.13 g/mol
Exact Mass142.10
IUPAC Namelithium 1-methoxy-3,5-dimethylbenzene-4-ide
SMILESCOc1cc(C)[c-]c(C)c1.[Li+]
InChIInChI=1S/C9H11O.Li/c1-7-4-8(2)6-9(5-7)10-3;/h5-6H,1-3H3;/q-1;+1
InChIKeyUSCLXJWKBRJARL-UHFFFAOYSA-N
XLogP-0.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 5-0.88
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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Related Compounds

Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)
CID 12914311
2-Methoxy-1,3-cyclohexadiene
CID 141599
2,2-dimethyl-6-isopropenyl-2H-pyran
CID 636526
2,2,4,6-Tetramethyl-2H-pyran
CID 12240309
3-Methoxycyclohepta-1,3,5-triene
CID 12570344
Lithium 1-methoxy-3,5-bis(trifluoromethyl)benzene-6-ide
CID 135082765
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CID 10933159
Magnesium;1,4-dimethoxy-2-methylbenzene-5-ide;bromide
CID 13401204
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
2,2-Dimethyl-2h-pyran
CID 15446431
5-Methyl-oxine
CID 18410493

Frequently Asked Questions

What is the IUPAC name of lithium 1-methoxy-3,5-dimethylbenzene-4-ide?
The IUPAC name of lithium 1-methoxy-3,5-dimethylbenzene-4-ide (CID 14943724) is lithium 1-methoxy-3,5-dimethylbenzene-4-ide.
What is the SMILES notation for lithium 1-methoxy-3,5-dimethylbenzene-4-ide?
The canonical SMILES for lithium 1-methoxy-3,5-dimethylbenzene-4-ide is COc1cc(C)[c-]c(C)c1.[Li+].
What is the InChIKey of lithium 1-methoxy-3,5-dimethylbenzene-4-ide?
The InChIKey is USCLXJWKBRJARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O.Li/c1-7-4-8(2)6-9(5-7)10-3;/h5-6H,1-3H3;/q-1;+1.
What are the key properties of lithium 1-methoxy-3,5-dimethylbenzene-4-ide?
lithium 1-methoxy-3,5-dimethylbenzene-4-ide has a molecular weight of 142.13 g/mol, XLogP of -0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methoxy-3,5-dimethylbenzene-4-ide is sourced from PubChem (CID 14943724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).