lithium methoxymethoxybenzene

C8H9LiO2 — CID 11228862

IUPAClithium methoxymethoxybenzene
SMILESCOCOc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H9O2.Li/c1-9-7-10-8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-1;+1
InChIKeyXKXMWFSSOJOJHS-UHFFFAOYSA-N
MW144.10 g/mol
LogP-1.53
Rot. Bonds3

About lithium methoxymethoxybenzene

lithium methoxymethoxybenzene (PubChem CID 11228862) has the molecular formula C8H9LiO2 and a molecular weight of 144.10 g/mol. Its IUPAC name is lithium methoxymethoxybenzene.

Molecular Properties

Compound Namelithium methoxymethoxybenzene
PubChem CID11228862
Molecular FormulaC8H9LiO2
Molecular Weight144.10 g/mol
Exact Mass144.08
IUPAC Namelithium methoxymethoxybenzene
SMILESCOCOc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H9O2.Li/c1-9-7-10-8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-1;+1
InChIKeyXKXMWFSSOJOJHS-UHFFFAOYSA-N
XLogP-1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 5-1.53
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 methoxymethoxybenzene?
The IUPAC name of lithium methoxymethoxybenzene (CID 11228862) is lithium methoxymethoxybenzene.
What is the SMILES notation for lithium methoxymethoxybenzene?
The canonical SMILES for lithium methoxymethoxybenzene is COCOc1[c-]cccc1.[Li+].
What is the InChIKey of lithium methoxymethoxybenzene?
The InChIKey is XKXMWFSSOJOJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2.Li/c1-9-7-10-8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-1;+1.
What are the key properties of lithium methoxymethoxybenzene?
lithium methoxymethoxybenzene has a molecular weight of 144.10 g/mol, XLogP of -1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methoxymethoxybenzene is sourced from PubChem (CID 11228862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).