lithium;carbanide;1,2-dimethoxyethane

C5H13LiO2 — CID 87253308

IUPAClithium;carbanide;1,2-dimethoxyethane
SMILESCOCCOC.[CH3-].[Li+]
InChIInChI=1S/C4H10O2.CH3.Li/c1-5-3-4-6-2;;/h3-4H2,1-2H3;1H3;/q;-1;+1
InChIKeyFWJRAHWZBQBOOP-UHFFFAOYSA-N
MW112.10 g/mol
LogP-2.27
Rot. Bonds3

About lithium;carbanide;1,2-dimethoxyethane

lithium;carbanide;1,2-dimethoxyethane (PubChem CID 87253308) has the molecular formula C5H13LiO2 and a molecular weight of 112.10 g/mol. Its IUPAC name is lithium;carbanide;1,2-dimethoxyethane.

Molecular Properties

Compound Namelithium;carbanide;1,2-dimethoxyethane
PubChem CID87253308
Molecular FormulaC5H13LiO2
Molecular Weight112.10 g/mol
Exact Mass112.11
IUPAC Namelithium;carbanide;1,2-dimethoxyethane
SMILESCOCCOC.[CH3-].[Li+]
InChIInChI=1S/C4H10O2.CH3.Li/c1-5-3-4-6-2;;/h3-4H2,1-2H3;1H3;/q;-1;+1
InChIKeyFWJRAHWZBQBOOP-UHFFFAOYSA-N
XLogP-2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.10
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;1,2-dimethoxyethane?
The IUPAC name of lithium;carbanide;1,2-dimethoxyethane (CID 87253308) is lithium;carbanide;1,2-dimethoxyethane.
What is the SMILES notation for lithium;carbanide;1,2-dimethoxyethane?
The canonical SMILES for lithium;carbanide;1,2-dimethoxyethane is COCCOC.[CH3-].[Li+].
What is the InChIKey of lithium;carbanide;1,2-dimethoxyethane?
The InChIKey is FWJRAHWZBQBOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.CH3.Li/c1-5-3-4-6-2;;/h3-4H2,1-2H3;1H3;/q;-1;+1.
What are the key properties of lithium;carbanide;1,2-dimethoxyethane?
lithium;carbanide;1,2-dimethoxyethane has a molecular weight of 112.10 g/mol, XLogP of -2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbanide;1,2-dimethoxyethane is sourced from PubChem (CID 87253308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).