(7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid

C38H56O4 — CID 138224404

About (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid

(7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid (PubChem CID 138224404) has the molecular formula C38H56O4 and a molecular weight of 576.86 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid.

Molecular Properties

• Compound Name: (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid
• PubChem CID: 138224404
• Molecular Formula: C38H56O4
• Molecular Weight: 576.86 g/mol
• Exact Mass: 576.42
• IUPAC Name: (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C(CCCCC(=O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CC
• InChI: InChI=1S/C38H56O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32-36(33-30-31-34-37(39)40)42-38(41)35-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-28,32,36H,3-4,9-10,15-16,20,23,26,29-31,33-35H2,1-2H3,(H,39,40)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,32-28-
• InChIKey: NZKBSKLLOARQJV-WSJOXXRBSA-N
• XLogP: 10.88
• TPSA: 63.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 26
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.86
LogP ≤ 5	10.88
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 (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid?

The IUPAC name of (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid (CID 138224404) is (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid.

What is the SMILES notation for (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid?

The canonical SMILES for (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C(CCCCC(=O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CC.

What is the InChIKey of (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid?

The InChIKey is NZKBSKLLOARQJV-WSJOXXRBSA-N. The full InChI is InChI=1S/C38H56O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32-36(33-30-31-34-37(39)40)42-38(41)35-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-28,32,36H,3-4,9-10,15-16,20,23,26,29-31,33-35H2,1-2H3,(H,39,40)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,32-28-.

What are the key properties of (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid?

(7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid has a molecular weight of 576.86 g/mol, XLogP of 10.88, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z,10Z,13Z,16Z,19Z)-6-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxydocosa-7,10,13,16,19-pentaenoic acid is sourced from PubChem (CID 138224404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).