lithium dimethoxymethylbenzene

C9H11LiO2 — CID 23691617

IUPAClithium dimethoxymethylbenzene
SMILESCOC(OC)c1c[c-]ccc1.[Li+]
InChIInChI=1S/C9H11O2.Li/c1-10-9(11-2)8-6-4-3-5-7-8;/h3-4,6-7,9H,1-2H3;/q-1;+1
InChIKeyQCWRSNBPAIIBTO-UHFFFAOYSA-N
MW158.13 g/mol
LogP-1.22
Rot. Bonds3

About lithium dimethoxymethylbenzene

lithium dimethoxymethylbenzene (PubChem CID 23691617) has the molecular formula C9H11LiO2 and a molecular weight of 158.13 g/mol. Its IUPAC name is lithium dimethoxymethylbenzene.

Molecular Properties

Compound Namelithium dimethoxymethylbenzene
PubChem CID23691617
Molecular FormulaC9H11LiO2
Molecular Weight158.13 g/mol
Exact Mass158.09
IUPAC Namelithium dimethoxymethylbenzene
SMILESCOC(OC)c1c[c-]ccc1.[Li+]
InChIInChI=1S/C9H11O2.Li/c1-10-9(11-2)8-6-4-3-5-7-8;/h3-4,6-7,9H,1-2H3;/q-1;+1
InChIKeyQCWRSNBPAIIBTO-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 dimethoxymethylbenzene?
The IUPAC name of lithium dimethoxymethylbenzene (CID 23691617) is lithium dimethoxymethylbenzene.
What is the SMILES notation for lithium dimethoxymethylbenzene?
The canonical SMILES for lithium dimethoxymethylbenzene is COC(OC)c1c[c-]ccc1.[Li+].
What is the InChIKey of lithium dimethoxymethylbenzene?
The InChIKey is QCWRSNBPAIIBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.Li/c1-10-9(11-2)8-6-4-3-5-7-8;/h3-4,6-7,9H,1-2H3;/q-1;+1.
What are the key properties of lithium dimethoxymethylbenzene?
lithium dimethoxymethylbenzene 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 dimethoxymethylbenzene is sourced from PubChem (CID 23691617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).