lithium but-2-enoate

C4H5LiO2 — CID 141266834

IUPAClithium but-2-enoate
SMILESCC=CC(=O)[O-].[Li+]
InChIInChI=1S/C4H6O2.Li/c1-2-3-4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1
InChIKeyYDRRXWLXTGEPCL-UHFFFAOYSA-M
MW92.02 g/mol
LogP-3.68
Rot. Bonds1

About lithium but-2-enoate

lithium but-2-enoate (PubChem CID 141266834) has the molecular formula C4H5LiO2 and a molecular weight of 92.02 g/mol. Its IUPAC name is lithium but-2-enoate.

Molecular Properties

Compound Namelithium but-2-enoate
PubChem CID141266834
Molecular FormulaC4H5LiO2
Molecular Weight92.02 g/mol
Exact Mass92.04
IUPAC Namelithium but-2-enoate
SMILESCC=CC(=O)[O-].[Li+]
InChIInChI=1S/C4H6O2.Li/c1-2-3-4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1
InChIKeyYDRRXWLXTGEPCL-UHFFFAOYSA-M
XLogP-3.68
TPSA40.13 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 ≤ 5-3.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-2-enoate;mercury(1+)
CID 173230436
copper bis(but-2-enoate)
CID 159139250
(E)-but-2-enedioate
CID 5460307
cadmium(2+);bis(hexa-2,4-dienoate)
CID 159713747
dicalcium;tetrakis((2E,4E)-hexa-2,4-dienoate)
CID 157350399
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
copper bis((2E,4E)-hexa-2,4-dienoate)
CID 6436412
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
beryllium (Z)-but-2-enedioate
CID 140577680
disodium;(Z)-but-2-enedioate
CID 6364608
bis((Z)-but-2-enedioate);copper
CID 172736667
hepta-2,5-dien-4-one
CID 54179619

Frequently Asked Questions

What is the IUPAC name of lithium but-2-enoate?
The IUPAC name of lithium but-2-enoate (CID 141266834) is lithium but-2-enoate.
What is the SMILES notation for lithium but-2-enoate?
The canonical SMILES for lithium but-2-enoate is CC=CC(=O)[O-].[Li+].
What is the InChIKey of lithium but-2-enoate?
The InChIKey is YDRRXWLXTGEPCL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.Li/c1-2-3-4(5)6;/h2-3H,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of lithium but-2-enoate?
lithium but-2-enoate has a molecular weight of 92.02 g/mol, XLogP of -3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium but-2-enoate is sourced from PubChem (CID 141266834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).