lithium diethoxymethylbenzene

C11H15LiO2 — CID 18471718

IUPAClithium diethoxymethylbenzene
SMILESCCOC(OCC)c1[c-]cccc1.[Li+]
InChIInChI=1S/C11H15O2.Li/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;/h5-8,11H,3-4H2,1-2H3;/q-1;+1
InChIKeyJELNRTLPLUHMLM-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.44
Rot. Bonds5

About lithium diethoxymethylbenzene

lithium diethoxymethylbenzene (PubChem CID 18471718) has the molecular formula C11H15LiO2 and a molecular weight of 186.18 g/mol. Its IUPAC name is lithium diethoxymethylbenzene.

Molecular Properties

Compound Namelithium diethoxymethylbenzene
PubChem CID18471718
Molecular FormulaC11H15LiO2
Molecular Weight186.18 g/mol
Exact Mass186.12
IUPAC Namelithium diethoxymethylbenzene
SMILESCCOC(OCC)c1[c-]cccc1.[Li+]
InChIInChI=1S/C11H15O2.Li/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;/h5-8,11H,3-4H2,1-2H3;/q-1;+1
InChIKeyJELNRTLPLUHMLM-UHFFFAOYSA-N
XLogP-0.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.44
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 diethoxymethylbenzene?
The IUPAC name of lithium diethoxymethylbenzene (CID 18471718) is lithium diethoxymethylbenzene.
What is the SMILES notation for lithium diethoxymethylbenzene?
The canonical SMILES for lithium diethoxymethylbenzene is CCOC(OCC)c1[c-]cccc1.[Li+].
What is the InChIKey of lithium diethoxymethylbenzene?
The InChIKey is JELNRTLPLUHMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O2.Li/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;/h5-8,11H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium diethoxymethylbenzene?
lithium diethoxymethylbenzene has a molecular weight of 186.18 g/mol, XLogP of -0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium diethoxymethylbenzene is sourced from PubChem (CID 18471718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).