lithium;3-ethylideneoxolane-2,5-dione;hydride

C6H7LiO3 — CID 175434916

IUPAClithium;3-ethylideneoxolane-2,5-dione;hydride
SMILESCC=C1CC(=O)OC1=O.[H-].[Li+]
InChIInChI=1S/C6H6O3.Li.H/c1-2-4-3-5(7)9-6(4)8;;/h2H,3H2,1H3;;/q;+1;-1
InChIKeyZBOAEYVMBPZDIA-UHFFFAOYSA-N
MW134.06 g/mol
LogP-2.48
Rot. Bonds

About lithium;3-ethylideneoxolane-2,5-dione;hydride

lithium;3-ethylideneoxolane-2,5-dione;hydride (PubChem CID 175434916) has the molecular formula C6H7LiO3 and a molecular weight of 134.06 g/mol. Its IUPAC name is lithium;3-ethylideneoxolane-2,5-dione;hydride.

Molecular Properties

Compound Namelithium;3-ethylideneoxolane-2,5-dione;hydride
PubChem CID175434916
Molecular FormulaC6H7LiO3
Molecular Weight134.06 g/mol
Exact Mass134.06
IUPAC Namelithium;3-ethylideneoxolane-2,5-dione;hydride
SMILESCC=C1CC(=O)OC1=O.[H-].[Li+]
InChIInChI=1S/C6H6O3.Li.H/c1-2-4-3-5(7)9-6(4)8;;/h2H,3H2,1H3;;/q;+1;-1
InChIKeyZBOAEYVMBPZDIA-UHFFFAOYSA-N
XLogP-2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.06
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;3-ethylideneoxolane-2,5-dione;hydride?
The IUPAC name of lithium;3-ethylideneoxolane-2,5-dione;hydride (CID 175434916) is lithium;3-ethylideneoxolane-2,5-dione;hydride.
What is the SMILES notation for lithium;3-ethylideneoxolane-2,5-dione;hydride?
The canonical SMILES for lithium;3-ethylideneoxolane-2,5-dione;hydride is CC=C1CC(=O)OC1=O.[H-].[Li+].
What is the InChIKey of lithium;3-ethylideneoxolane-2,5-dione;hydride?
The InChIKey is ZBOAEYVMBPZDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3.Li.H/c1-2-4-3-5(7)9-6(4)8;;/h2H,3H2,1H3;;/q;+1;-1.
What are the key properties of lithium;3-ethylideneoxolane-2,5-dione;hydride?
lithium;3-ethylideneoxolane-2,5-dione;hydride has a molecular weight of 134.06 g/mol, XLogP of -2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-ethylideneoxolane-2,5-dione;hydride is sourced from PubChem (CID 175434916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).