lithium 1-methoxypropa-1,2-dien-1-olate

C4H5LiO2 — CID 155674980

IUPAClithium 1-methoxypropa-1,2-dien-1-olate
SMILESC=C=C([O-])OC.[Li+]
InChIInChI=1S/C4H6O2.Li/c1-3-4(5)6-2;/h5H,1H2,2H3;/q;+1/p-1
InChIKeyMBMPEJILLXSURS-UHFFFAOYSA-M
MW92.02 g/mol
LogP-3.38
Rot. Bonds1

About lithium 1-methoxypropa-1,2-dien-1-olate

lithium 1-methoxypropa-1,2-dien-1-olate (PubChem CID 155674980) has the molecular formula C4H5LiO2 and a molecular weight of 92.02 g/mol. Its IUPAC name is lithium 1-methoxypropa-1,2-dien-1-olate.

Molecular Properties

Compound Namelithium 1-methoxypropa-1,2-dien-1-olate
PubChem CID155674980
Molecular FormulaC4H5LiO2
Molecular Weight92.02 g/mol
Exact Mass92.04
IUPAC Namelithium 1-methoxypropa-1,2-dien-1-olate
SMILESC=C=C([O-])OC.[Li+]
InChIInChI=1S/C4H6O2.Li/c1-3-4(5)6-2;/h5H,1H2,2H3;/q;+1/p-1
InChIKeyMBMPEJILLXSURS-UHFFFAOYSA-M
XLogP-3.38
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.02
LogP ≤ 5-3.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 1-methoxypropa-1,2-dien-1-olate?
The IUPAC name of lithium 1-methoxypropa-1,2-dien-1-olate (CID 155674980) is lithium 1-methoxypropa-1,2-dien-1-olate.
What is the SMILES notation for lithium 1-methoxypropa-1,2-dien-1-olate?
The canonical SMILES for lithium 1-methoxypropa-1,2-dien-1-olate is C=C=C([O-])OC.[Li+].
What is the InChIKey of lithium 1-methoxypropa-1,2-dien-1-olate?
The InChIKey is MBMPEJILLXSURS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.Li/c1-3-4(5)6-2;/h5H,1H2,2H3;/q;+1/p-1.
What are the key properties of lithium 1-methoxypropa-1,2-dien-1-olate?
lithium 1-methoxypropa-1,2-dien-1-olate has a molecular weight of 92.02 g/mol, XLogP of -3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methoxypropa-1,2-dien-1-olate is sourced from PubChem (CID 155674980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).