10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid

C35H58O4 — CID 134764434

About 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid

10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid (PubChem CID 134764434) has the molecular formula C35H58O4 and a molecular weight of 542.85 g/mol. Its IUPAC name is 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid.

Molecular Properties

• Compound Name: 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid
• PubChem CID: 134764434
• Molecular Formula: C35H58O4
• Molecular Weight: 542.85 g/mol
• Exact Mass: 542.43
• IUPAC Name: 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CCCCC)CCCCCCCCC(=O)O
• InChI: InChI=1S/C35H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-32-35(38)39-33(29-25-6-4-2)30-26-22-20-21-23-27-31-34(36)37/h5,7,9-10,12-13,15-16,18-19,33H,3-4,6,8,11,14,17,20-32H2,1-2H3,(H,36,37)/b7-5-,10-9-,13-12-,16-15-,19-18-
• InChIKey: RNLQUCJDEPHRAO-CZESKWGWSA-N
• XLogP: 10.61
• TPSA: 63.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 27
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.85
LogP ≤ 5	10.61
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 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid?

The IUPAC name of 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid (CID 134764434) is 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid.

What is the SMILES notation for 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid?

The canonical SMILES for 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CCCCC)CCCCCCCCC(=O)O.

What is the InChIKey of 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid?

The InChIKey is RNLQUCJDEPHRAO-CZESKWGWSA-N. The full InChI is InChI=1S/C35H58O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-32-35(38)39-33(29-25-6-4-2)30-26-22-20-21-23-27-31-34(36)37/h5,7,9-10,12-13,15-16,18-19,33H,3-4,6,8,11,14,17,20-32H2,1-2H3,(H,36,37)/b7-5-,10-9-,13-12-,16-15-,19-18-.

What are the key properties of 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid?

10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid has a molecular weight of 542.85 g/mol, XLogP of 10.61, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypentadecanoic acid is sourced from PubChem (CID 134764434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).