lithium methoxymethylbenzene

C8H9LiO — CID 22382344

IUPAClithium methoxymethylbenzene
SMILESCOCc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H9O.Li/c1-9-7-8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-1;+1
InChIKeyZPNRKHWJIGTBEC-UHFFFAOYSA-N
MW128.10 g/mol
LogP-1.36
Rot. Bonds2

About lithium methoxymethylbenzene

lithium methoxymethylbenzene (PubChem CID 22382344) has the molecular formula C8H9LiO and a molecular weight of 128.10 g/mol. Its IUPAC name is lithium methoxymethylbenzene.

Molecular Properties

Compound Namelithium methoxymethylbenzene
PubChem CID22382344
Molecular FormulaC8H9LiO
Molecular Weight128.10 g/mol
Exact Mass128.08
IUPAC Namelithium methoxymethylbenzene
SMILESCOCc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H9O.Li/c1-9-7-8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-1;+1
InChIKeyZPNRKHWJIGTBEC-UHFFFAOYSA-N
XLogP-1.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-1.36
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 methoxymethylbenzene?
The IUPAC name of lithium methoxymethylbenzene (CID 22382344) is lithium methoxymethylbenzene.
What is the SMILES notation for lithium methoxymethylbenzene?
The canonical SMILES for lithium methoxymethylbenzene is COCc1[c-]cccc1.[Li+].
What is the InChIKey of lithium methoxymethylbenzene?
The InChIKey is ZPNRKHWJIGTBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Li/c1-9-7-8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-1;+1.
What are the key properties of lithium methoxymethylbenzene?
lithium methoxymethylbenzene has a molecular weight of 128.10 g/mol, XLogP of -1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methoxymethylbenzene is sourced from PubChem (CID 22382344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).