potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid

C22H41KO6 — CID 174787387

IUPACpotassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=C(O)/C=C/C(=O)O.[H-].[K+]
InChIInChI=1S/C18H36O2.C4H4O4.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(6)1-2-4(7)8;;/h2-17H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8);;/q;;+1;-1/b;2-1+;;
InChIKeyXGGAJAGSHHHZNZ-WFNHHOHWSA-N
MW440.66 g/mol
LogP3.16
Rot. Bonds18

About potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid

potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid (PubChem CID 174787387) has the molecular formula C22H41KO6 and a molecular weight of 440.66 g/mol. Its IUPAC name is potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid.

Molecular Properties

Compound Namepotassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid
PubChem CID174787387
Molecular FormulaC22H41KO6
Molecular Weight440.66 g/mol
Exact Mass440.25
IUPAC Namepotassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=C(O)/C=C/C(=O)O.[H-].[K+]
InChIInChI=1S/C18H36O2.C4H4O4.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(6)1-2-4(7)8;;/h2-17H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8);;/q;;+1;-1/b;2-1+;;
InChIKeyXGGAJAGSHHHZNZ-WFNHHOHWSA-N
XLogP3.16
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;docosanoic acid
CID 175696241
(Z)-but-2-enedioic acid;hexadecanoic acid
CID 160962830
but-2-enedioic acid;decanoic acid
CID 173319986
(Z)-but-2-enedioic acid;decanoic acid
CID 172806359
potassium;cobalt;hydride;octanoic acid
CID 175014116
hexadecanoic acid;pentanedioic acid
CID 159789250
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
calcium;dodecanoic acid;hydride
CID 172998116
calcium;hydride;nonacosanoic acid
CID 173321722
disodium;hydride;tetradecanoic acid
CID 175149200
calcium;hydride;tritriacontanoic acid
CID 173321714
acetic acid;decanoic acid
CID 159015360

Frequently Asked Questions

What is the IUPAC name of potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid?
The IUPAC name of potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid (CID 174787387) is potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid.
What is the SMILES notation for potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid?
The canonical SMILES for potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.O=C(O)/C=C/C(=O)O.[H-].[K+].
What is the InChIKey of potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid?
The InChIKey is XGGAJAGSHHHZNZ-WFNHHOHWSA-N. The full InChI is InChI=1S/C18H36O2.C4H4O4.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(6)1-2-4(7)8;;/h2-17H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8);;/q;;+1;-1/b;2-1+;;.
What are the key properties of potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid?
potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid has a molecular weight of 440.66 g/mol, XLogP of 3.16, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid is sourced from PubChem (CID 174787387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).