(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid

C24H36O2 — CID 131769829

IUPAC(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/CCCCCC(=O)O
InChIInChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-18H,2,5,8,11,14,19-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17-
InChIKeyRFKXDFPDYHBCRC-JGDWKEERSA-N
MW356.55 g/mol
LogP7.33
Rot. Bonds16

About (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid

(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid (PubChem CID 131769829) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid.

Molecular Properties

Compound Name(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid
PubChem CID131769829
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/CCCCCC(=O)O
InChIInChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-18H,2,5,8,11,14,19-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17-
InChIKeyRFKXDFPDYHBCRC-JGDWKEERSA-N
XLogP7.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid with MolForge

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Related Compounds

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octacosa-10,13,16,19,22,25-hexaenoic acid
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henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
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(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
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(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855
(8Z,11Z,14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-8,11,14,17,20,23,26,29-octaenoic acid
CID 165203838
CID 87067082
CID 87067082
dodeca-7,9-dienoic acid
CID 78383934
(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
octadeca-6,9,11-trienoic acid
CID 85068576

Frequently Asked Questions

What is the IUPAC name of (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid?
The IUPAC name of (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid (CID 131769829) is (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid.
What is the SMILES notation for (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid?
The canonical SMILES for (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/CCCCCC(=O)O.
What is the InChIKey of (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid?
The InChIKey is RFKXDFPDYHBCRC-JGDWKEERSA-N. The full InChI is InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-18H,2,5,8,11,14,19-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17-.
What are the key properties of (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid?
(7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid has a molecular weight of 356.55 g/mol, XLogP of 7.33, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoic acid is sourced from PubChem (CID 131769829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).