lithium;potassium;hydride;prop-2-enoyl prop-2-enoate

C6H8KLiO3 — CID 173405151

IUPAClithium;potassium;hydride;prop-2-enoyl prop-2-enoate
SMILESC=CC(=O)OC(=O)C=C.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C6H6O3.K.Li.2H/c1-3-5(7)9-6(8)4-2;;;;/h3-4H,1-2H2;;;;/q;2*+1;2*-1
InChIKeyIPVNKCVFGMVGPC-UHFFFAOYSA-N
MW174.17 g/mol
LogP-5.34
Rot. Bonds2

About lithium;potassium;hydride;prop-2-enoyl prop-2-enoate

lithium;potassium;hydride;prop-2-enoyl prop-2-enoate (PubChem CID 173405151) has the molecular formula C6H8KLiO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is lithium;potassium;hydride;prop-2-enoyl prop-2-enoate.

Molecular Properties

Compound Namelithium;potassium;hydride;prop-2-enoyl prop-2-enoate
PubChem CID173405151
Molecular FormulaC6H8KLiO3
Molecular Weight174.17 g/mol
Exact Mass174.03
IUPAC Namelithium;potassium;hydride;prop-2-enoyl prop-2-enoate
SMILESC=CC(=O)OC(=O)C=C.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C6H6O3.K.Li.2H/c1-3-5(7)9-6(8)4-2;;;;/h3-4H,1-2H2;;;;/q;2*+1;2*-1
InChIKeyIPVNKCVFGMVGPC-UHFFFAOYSA-N
XLogP-5.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 5-5.34
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'}

Analyze lithium;potassium;hydride;prop-2-enoyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetyl prop-2-enoate;ethene
CID 157340658
1,2,2-trihydroxyethenyl prop-2-enoate
CID 140527484
potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803239
2-prop-2-enoyloxyprop-2-enoic acid
CID 57160830
disodium;hydride;prop-2-enoyl 2-methylbut-2-enoate
CID 173200570
acetic acid;acetyl acetate;acetyl prop-2-enoate;prop-2-enoic acid;prop-2-enoyl prop-2-enoate
CID 174719964
diprop-2-enoyl pentanedioate
CID 54164041
[(Z)-1-chloroprop-1-enyl] prop-2-enoate
CID 88621042
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
sodium;fluoro prop-2-enoate;hydride
CID 174639418
4-prop-2-enoyloxy-4-sulfanylidenebutanoic acid
CID 142739645
sodium;hydride;1-O-methyl 3-O-prop-2-enoyl propanedioate
CID 174802772

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;hydride;prop-2-enoyl prop-2-enoate?
The IUPAC name of lithium;potassium;hydride;prop-2-enoyl prop-2-enoate (CID 173405151) is lithium;potassium;hydride;prop-2-enoyl prop-2-enoate.
What is the SMILES notation for lithium;potassium;hydride;prop-2-enoyl prop-2-enoate?
The canonical SMILES for lithium;potassium;hydride;prop-2-enoyl prop-2-enoate is C=CC(=O)OC(=O)C=C.[H-].[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;hydride;prop-2-enoyl prop-2-enoate?
The InChIKey is IPVNKCVFGMVGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3.K.Li.2H/c1-3-5(7)9-6(8)4-2;;;;/h3-4H,1-2H2;;;;/q;2*+1;2*-1.
What are the key properties of lithium;potassium;hydride;prop-2-enoyl prop-2-enoate?
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate has a molecular weight of 174.17 g/mol, XLogP of -5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;hydride;prop-2-enoyl prop-2-enoate is sourced from PubChem (CID 173405151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).