lithium 2-methoxyethyl carbonate

C4H7LiO4 — CID 139846001

IUPAClithium 2-methoxyethyl carbonate
SMILESCOCCOC(=O)[O-].[Li+]
InChIInChI=1S/C4H8O4.Li/c1-7-2-3-8-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyVKURBAFEPYZDBI-UHFFFAOYSA-M
MW126.04 g/mol
LogP-4.00
Rot. Bonds3

About lithium 2-methoxyethyl carbonate

lithium 2-methoxyethyl carbonate (PubChem CID 139846001) has the molecular formula C4H7LiO4 and a molecular weight of 126.04 g/mol. Its IUPAC name is lithium 2-methoxyethyl carbonate.

Molecular Properties

Compound Namelithium 2-methoxyethyl carbonate
PubChem CID139846001
Molecular FormulaC4H7LiO4
Molecular Weight126.04 g/mol
Exact Mass126.05
IUPAC Namelithium 2-methoxyethyl carbonate
SMILESCOCCOC(=O)[O-].[Li+]
InChIInChI=1S/C4H8O4.Li/c1-7-2-3-8-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyVKURBAFEPYZDBI-UHFFFAOYSA-M
XLogP-4.00
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.04
LogP ≤ 5-4.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-methoxyethyl carbonate?
The IUPAC name of lithium 2-methoxyethyl carbonate (CID 139846001) is lithium 2-methoxyethyl carbonate.
What is the SMILES notation for lithium 2-methoxyethyl carbonate?
The canonical SMILES for lithium 2-methoxyethyl carbonate is COCCOC(=O)[O-].[Li+].
What is the InChIKey of lithium 2-methoxyethyl carbonate?
The InChIKey is VKURBAFEPYZDBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O4.Li/c1-7-2-3-8-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of lithium 2-methoxyethyl carbonate?
lithium 2-methoxyethyl carbonate has a molecular weight of 126.04 g/mol, XLogP of -4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methoxyethyl carbonate is sourced from PubChem (CID 139846001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).