lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide

C11H15LiO3 — CID 23691348

IUPAClithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide
SMILESCCOC(C)Oc1c[c-]cc(OC)c1.[Li+]
InChIInChI=1S/C11H15O3.Li/c1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h6-9H,4H2,1-3H3;/q-1;+1
InChIKeyIFLUSQXDEMSTIP-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.74
Rot. Bonds5

About lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide

lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide (PubChem CID 23691348) has the molecular formula C11H15LiO3 and a molecular weight of 202.18 g/mol. Its IUPAC name is lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide.

Molecular Properties

Compound Namelithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide
PubChem CID23691348
Molecular FormulaC11H15LiO3
Molecular Weight202.18 g/mol
Exact Mass202.12
IUPAC Namelithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide
SMILESCCOC(C)Oc1c[c-]cc(OC)c1.[Li+]
InChIInChI=1S/C11H15O3.Li/c1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h6-9H,4H2,1-3H3;/q-1;+1
InChIKeyIFLUSQXDEMSTIP-UHFFFAOYSA-N
XLogP-0.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-ethoxyethoxy)-3-methoxybenzene-5-ide?
The IUPAC name of lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide (CID 23691348) is lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide.
What is the SMILES notation for lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide?
The canonical SMILES for lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide is CCOC(C)Oc1c[c-]cc(OC)c1.[Li+].
What is the InChIKey of lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide?
The InChIKey is IFLUSQXDEMSTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3.Li/c1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h6-9H,4H2,1-3H3;/q-1;+1.
What are the key properties of lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide?
lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide has a molecular weight of 202.18 g/mol, XLogP of -0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide is sourced from PubChem (CID 23691348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).