(11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid

C38H60O4 — CID 138235264

About (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid

(11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid (PubChem CID 138235264) has the molecular formula C38H60O4 and a molecular weight of 580.89 g/mol. Its IUPAC name is (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid.

Molecular Properties

• Compound Name: (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid
• PubChem CID: 138235264
• Molecular Formula: C38H60O4
• Molecular Weight: 580.89 g/mol
• Exact Mass: 580.45
• IUPAC Name: (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(/C=C\C/C=C\C/C=C\CC)CCCCCCCCC(=O)O
• InChI: InChI=1S/C38H60O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-27-31-35-38(41)42-36(32-28-24-20-12-10-8-6-4-2)33-29-25-22-23-26-30-34-37(39)40/h5-8,11-13,15-16,18-20,28,32,36H,3-4,9-10,14,17,21-27,29-31,33-35H2,1-2H3,(H,39,40)/b7-5-,8-6-,13-11-,16-15-,19-18-,20-12-,32-28-
• InChIKey: PHEIFXFULDYQME-AHFWYMCUSA-N
• XLogP: 11.33
• TPSA: 63.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 28
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.89
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid?

The IUPAC name of (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid (CID 138235264) is (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid.

What is the SMILES notation for (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid?

The canonical SMILES for (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(/C=C\C/C=C\C/C=C\CC)CCCCCCCCC(=O)O.

What is the InChIKey of (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid?

The InChIKey is PHEIFXFULDYQME-AHFWYMCUSA-N. The full InChI is InChI=1S/C38H60O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-27-31-35-38(41)42-36(32-28-24-20-12-10-8-6-4-2)33-29-25-22-23-26-30-34-37(39)40/h5-8,11-13,15-16,18-20,28,32,36H,3-4,9-10,14,17,21-27,29-31,33-35H2,1-2H3,(H,39,40)/b7-5-,8-6-,13-11-,16-15-,19-18-,20-12-,32-28-.

What are the key properties of (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid?

(11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid has a molecular weight of 580.89 g/mol, XLogP of 11.33, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (11Z,14Z,17Z)-10-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxyicosa-11,14,17-trienoic acid is sourced from PubChem (CID 138235264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).