(7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid

C22H32O3 — CID 130378486

IUPAC(7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid
SMILESCC/C=C\C/C=C\C=CC(=O)C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,16-13-,18-15?
InChIKeyAGDTWQLXNUYUDC-VKOQJZIQSA-N
MW344.50 g/mol
LogP5.95
Rot. Bonds15

About (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid

(7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid (PubChem CID 130378486) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid.

Molecular Properties

Compound Name(7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid
PubChem CID130378486
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name(7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid
SMILESCC/C=C\C/C=C\C=CC(=O)C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,16-13-,18-15?
InChIKeyAGDTWQLXNUYUDC-VKOQJZIQSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid with MolForge

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Related Compounds

17-oxodocosa-7,10,13,15,19-pentaenoic acid
CID 53394416
13-oxodocosa-4,7,10,14,16,19-hexaenoic acid
CID 75091874
(5E,9Z,11Z,14Z)-8-oxoicosa-5,9,11,14-tetraenoic acid
CID 5312977
(5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid
CID 21159013
9-oxooctadeca-10,12,15-trienoic acid
CID 3017510
(10E,12Z,15Z)-9-oxooctadeca-10,12,15-trienoic acid
CID 11380794
(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid
CID 131769829
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
henicosa-15,18-dienoic acid
CID 169277369
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668
icosa-8,14,17-trienoic acid
CID 54189424

Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid?
The IUPAC name of (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid (CID 130378486) is (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid.
What is the SMILES notation for (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid?
The canonical SMILES for (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid is CC/C=C\C/C=C\C=CC(=O)C/C=C\C/C=C\CCCCCC(=O)O.
What is the InChIKey of (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid?
The InChIKey is AGDTWQLXNUYUDC-VKOQJZIQSA-N. The full InChI is InChI=1S/C22H32O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,16-13-,18-15?.
What are the key properties of (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid?
(7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-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 (7Z,10Z,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid is sourced from PubChem (CID 130378486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).