lithium 1-methoxyethoxybenzene

C9H11LiO2 — CID 18188894

IUPAClithium 1-methoxyethoxybenzene
SMILESCOC(C)Oc1c[c-]ccc1.[Li+]
InChIInChI=1S/C9H11O2.Li/c1-8(10-2)11-9-6-4-3-5-7-9;/h3-4,6-8H,1-2H3;/q-1;+1
InChIKeyAIJMYQQJZCOAIK-UHFFFAOYSA-N
MW158.13 g/mol
LogP-1.14
Rot. Bonds3

About lithium 1-methoxyethoxybenzene

lithium 1-methoxyethoxybenzene (PubChem CID 18188894) has the molecular formula C9H11LiO2 and a molecular weight of 158.13 g/mol. Its IUPAC name is lithium 1-methoxyethoxybenzene.

Molecular Properties

Compound Namelithium 1-methoxyethoxybenzene
PubChem CID18188894
Molecular FormulaC9H11LiO2
Molecular Weight158.13 g/mol
Exact Mass158.09
IUPAC Namelithium 1-methoxyethoxybenzene
SMILESCOC(C)Oc1c[c-]ccc1.[Li+]
InChIInChI=1S/C9H11O2.Li/c1-8(10-2)11-9-6-4-3-5-7-9;/h3-4,6-8H,1-2H3;/q-1;+1
InChIKeyAIJMYQQJZCOAIK-UHFFFAOYSA-N
XLogP-1.14
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 ≤ 5-1.14
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-methoxyethoxybenzene?
The IUPAC name of lithium 1-methoxyethoxybenzene (CID 18188894) is lithium 1-methoxyethoxybenzene.
What is the SMILES notation for lithium 1-methoxyethoxybenzene?
The canonical SMILES for lithium 1-methoxyethoxybenzene is COC(C)Oc1c[c-]ccc1.[Li+].
What is the InChIKey of lithium 1-methoxyethoxybenzene?
The InChIKey is AIJMYQQJZCOAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.Li/c1-8(10-2)11-9-6-4-3-5-7-9;/h3-4,6-8H,1-2H3;/q-1;+1.
What are the key properties of lithium 1-methoxyethoxybenzene?
lithium 1-methoxyethoxybenzene has a molecular weight of 158.13 g/mol, XLogP of -1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methoxyethoxybenzene is sourced from PubChem (CID 18188894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).