lithium;potassium;hydride;8-methanidylicosane;propanedioic acid

C24H48KLiO4 — CID 174967705

IUPAClithium;potassium;hydride;8-methanidylicosane;propanedioic acid
SMILESO=C(O)CC(=O)O.[CH2-]C(CCCCCCC)CCCCCCCCCCCC.[H-].[K+].[Li+]
InChIInChI=1S/C21H43.C3H4O4.K.Li.H/c1-4-6-8-10-11-12-13-14-16-18-20-21(3)19-17-15-9-7-5-2;4-2(5)1-3(6)7;;;/h21H,3-20H2,1-2H3;1H2,(H,4,5)(H,6,7);;;/q-1;;2*+1;-1
InChIKeyYBWAXMVSOMDTJR-UHFFFAOYSA-N
MW446.68 g/mol
LogP1.77
Rot. Bonds19

About lithium;potassium;hydride;8-methanidylicosane;propanedioic acid

lithium;potassium;hydride;8-methanidylicosane;propanedioic acid (PubChem CID 174967705) has the molecular formula C24H48KLiO4 and a molecular weight of 446.68 g/mol. Its IUPAC name is lithium;potassium;hydride;8-methanidylicosane;propanedioic acid.

Molecular Properties

Compound Namelithium;potassium;hydride;8-methanidylicosane;propanedioic acid
PubChem CID174967705
Molecular FormulaC24H48KLiO4
Molecular Weight446.68 g/mol
Exact Mass446.33
IUPAC Namelithium;potassium;hydride;8-methanidylicosane;propanedioic acid
SMILESO=C(O)CC(=O)O.[CH2-]C(CCCCCCC)CCCCCCCCCCCC.[H-].[K+].[Li+]
InChIInChI=1S/C21H43.C3H4O4.K.Li.H/c1-4-6-8-10-11-12-13-14-16-18-20-21(3)19-17-15-9-7-5-2;4-2(5)1-3(6)7;;;/h21H,3-20H2,1-2H3;1H2,(H,4,5)(H,6,7);;;/q-1;;2*+1;-1
InChIKeyYBWAXMVSOMDTJR-UHFFFAOYSA-N
XLogP1.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.68
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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octadecanoic acid;propanedioic acid
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lithium;nonane;propanedioic acid
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lithium;hydride;9-hydroxyoctadecanoic acid
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magnesium;2-decylpropanedioic acid;hydride
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(2S)-2-butyldecanoic acid
CID 98176194
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Frequently Asked Questions

What is the IUPAC name of lithium;potassium;hydride;8-methanidylicosane;propanedioic acid?
The IUPAC name of lithium;potassium;hydride;8-methanidylicosane;propanedioic acid (CID 174967705) is lithium;potassium;hydride;8-methanidylicosane;propanedioic acid.
What is the SMILES notation for lithium;potassium;hydride;8-methanidylicosane;propanedioic acid?
The canonical SMILES for lithium;potassium;hydride;8-methanidylicosane;propanedioic acid is O=C(O)CC(=O)O.[CH2-]C(CCCCCCC)CCCCCCCCCCCC.[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;hydride;8-methanidylicosane;propanedioic acid?
The InChIKey is YBWAXMVSOMDTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43.C3H4O4.K.Li.H/c1-4-6-8-10-11-12-13-14-16-18-20-21(3)19-17-15-9-7-5-2;4-2(5)1-3(6)7;;;/h21H,3-20H2,1-2H3;1H2,(H,4,5)(H,6,7);;;/q-1;;2*+1;-1.
What are the key properties of lithium;potassium;hydride;8-methanidylicosane;propanedioic acid?
lithium;potassium;hydride;8-methanidylicosane;propanedioic acid has a molecular weight of 446.68 g/mol, XLogP of 1.77, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;hydride;8-methanidylicosane;propanedioic acid is sourced from PubChem (CID 174967705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).