lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide

C14H15LiO2 — CID 23691138

IUPAClithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide
SMILESCCc1c[c-]cc2c(OCOC)cccc12.[Li+]
InChIInChI=1S/C14H15O2.Li/c1-3-11-6-4-8-13-12(11)7-5-9-14(13)16-10-15-2;/h5-9H,3,10H2,1-2H3;/q-1;+1
InChIKeyLWGYJYPCGFLLCP-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.19
Rot. Bonds4

About lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide

lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide (PubChem CID 23691138) has the molecular formula C14H15LiO2 and a molecular weight of 222.21 g/mol. Its IUPAC name is lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide.

Molecular Properties

Compound Namelithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide
PubChem CID23691138
Molecular FormulaC14H15LiO2
Molecular Weight222.21 g/mol
Exact Mass222.12
IUPAC Namelithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide
SMILESCCc1c[c-]cc2c(OCOC)cccc12.[Li+]
InChIInChI=1S/C14H15O2.Li/c1-3-11-6-4-8-13-12(11)7-5-9-14(13)16-10-15-2;/h5-9H,3,10H2,1-2H3;/q-1;+1
InChIKeyLWGYJYPCGFLLCP-UHFFFAOYSA-N
XLogP0.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.19
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'}

Analyze lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide?
The IUPAC name of lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide (CID 23691138) is lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide.
What is the SMILES notation for lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide?
The canonical SMILES for lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide is CCc1c[c-]cc2c(OCOC)cccc12.[Li+].
What is the InChIKey of lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide?
The InChIKey is LWGYJYPCGFLLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2.Li/c1-3-11-6-4-8-13-12(11)7-5-9-14(13)16-10-15-2;/h5-9H,3,10H2,1-2H3;/q-1;+1.
What are the key properties of lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide?
lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide has a molecular weight of 222.21 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-ethyl-8-(methoxymethoxy)-2H-naphthalen-2-ide is sourced from PubChem (CID 23691138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).