(4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid

C22H32O3 — CID 10269046

IUPAC(4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid
SMILESCCC/C=C/C(=O)CC/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,11-15,18H,2-4,9-10,16-17,19-20H2,1H3,(H,24,25)/b7-5+,8-6+,13-11+,14-12-,18-15+
InChIKeyMMGIYAHPUPZVJU-NEIYCVABSA-N
MW344.50 g/mol
LogP5.95
Rot. Bonds15

About (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid

(4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid (PubChem CID 10269046) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid.

Molecular Properties

Compound Name(4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid
PubChem CID10269046
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name(4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid
SMILESCCC/C=C/C(=O)CC/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,11-15,18H,2-4,9-10,16-17,19-20H2,1H3,(H,24,25)/b7-5+,8-6+,13-11+,14-12-,18-15+
InChIKeyMMGIYAHPUPZVJU-NEIYCVABSA-N
XLogP5.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid with MolForge

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Related Compounds

docosa-4,7,10,14,16,18-hexaenoic acid
CID 123967025
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
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(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848
(4Z,7Z,10Z,13Z,16Z,19Z,22Z)-octacosa-4,7,10,13,16,19,22-heptaenoic acid
CID 14647893

Frequently Asked Questions

What is the IUPAC name of (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid?
The IUPAC name of (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid (CID 10269046) is (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid.
What is the SMILES notation for (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid?
The canonical SMILES for (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid is CCC/C=C/C(=O)CC/C=C/C/C=C/C/C=C/C/C=C\CCC(=O)O.
What is the InChIKey of (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid?
The InChIKey is MMGIYAHPUPZVJU-NEIYCVABSA-N. The full InChI is InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,11-15,18H,2-4,9-10,16-17,19-20H2,1H3,(H,24,25)/b7-5+,8-6+,13-11+,14-12-,18-15+.
What are the key properties of (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid?
(4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid has a molecular weight of 344.50 g/mol, XLogP of 5.95, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid is sourced from PubChem (CID 10269046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).