lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide

C11H15LiO4 — CID 134894111

IUPAClithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide
SMILESCOc1[c-]c(OC)cc(C(OC)OC)c1.[Li+]
InChIInChI=1S/C11H15O4.Li/c1-12-9-5-8(11(14-3)15-4)6-10(7-9)13-2;/h5-6,11H,1-4H3;/q-1;+1
InChIKeyXXWHHWRUJYWGFH-UHFFFAOYSA-N
MW218.18 g/mol
LogP-1.20
Rot. Bonds5

About lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide

lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide (PubChem CID 134894111) has the molecular formula C11H15LiO4 and a molecular weight of 218.18 g/mol. Its IUPAC name is lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide.

Molecular Properties

Compound Namelithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide
PubChem CID134894111
Molecular FormulaC11H15LiO4
Molecular Weight218.18 g/mol
Exact Mass218.11
IUPAC Namelithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide
SMILESCOc1[c-]c(OC)cc(C(OC)OC)c1.[Li+]
InChIInChI=1S/C11H15O4.Li/c1-12-9-5-8(11(14-3)15-4)6-10(7-9)13-2;/h5-6,11H,1-4H3;/q-1;+1
InChIKeyXXWHHWRUJYWGFH-UHFFFAOYSA-N
XLogP-1.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide?
The IUPAC name of lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide (CID 134894111) is lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide.
What is the SMILES notation for lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide?
The canonical SMILES for lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide is COc1[c-]c(OC)cc(C(OC)OC)c1.[Li+].
What is the InChIKey of lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide?
The InChIKey is XXWHHWRUJYWGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4.Li/c1-12-9-5-8(11(14-3)15-4)6-10(7-9)13-2;/h5-6,11H,1-4H3;/q-1;+1.
What are the key properties of lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide?
lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide has a molecular weight of 218.18 g/mol, XLogP of -1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide is sourced from PubChem (CID 134894111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).