lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide

C9H11LiO2 — CID 135082882

IUPAClithium 1-(methoxymethoxy)-3-methylbenzene-2-ide
SMILESCOCOc1[c-]c(C)ccc1.[Li+]
InChIInChI=1S/C9H11O2.Li/c1-8-4-3-5-9(6-8)11-7-10-2;/h3-5H,7H2,1-2H3;/q-1;+1
InChIKeyDGWJBMXAMNOHKP-UHFFFAOYSA-N
MW158.13 g/mol
LogP-1.22
Rot. Bonds3

About lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide

lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide (PubChem CID 135082882) has the molecular formula C9H11LiO2 and a molecular weight of 158.13 g/mol. Its IUPAC name is lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide.

Molecular Properties

Compound Namelithium 1-(methoxymethoxy)-3-methylbenzene-2-ide
PubChem CID135082882
Molecular FormulaC9H11LiO2
Molecular Weight158.13 g/mol
Exact Mass158.09
IUPAC Namelithium 1-(methoxymethoxy)-3-methylbenzene-2-ide
SMILESCOCOc1[c-]c(C)ccc1.[Li+]
InChIInChI=1S/C9H11O2.Li/c1-8-4-3-5-9(6-8)11-7-10-2;/h3-5H,7H2,1-2H3;/q-1;+1
InChIKeyDGWJBMXAMNOHKP-UHFFFAOYSA-N
XLogP-1.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide?
The IUPAC name of lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide (CID 135082882) is lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide.
What is the SMILES notation for lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide?
The canonical SMILES for lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide is COCOc1[c-]c(C)ccc1.[Li+].
What is the InChIKey of lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide?
The InChIKey is DGWJBMXAMNOHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.Li/c1-8-4-3-5-9(6-8)11-7-10-2;/h3-5H,7H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide?
lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide has a molecular weight of 158.13 g/mol, XLogP of -1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide is sourced from PubChem (CID 135082882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).