(5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid

C82H113F3O13 — CID 162127715

About (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid

(5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid (PubChem CID 162127715) has the molecular formula C82H113F3O13 and a molecular weight of 1363.79 g/mol. Its IUPAC name is (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid.

Molecular Properties

• Compound Name: (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
• PubChem CID: 162127715
• Molecular Formula: C82H113F3O13
• Molecular Weight: 1363.79 g/mol
• Exact Mass: 1362.81
• IUPAC Name: (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
• SMILES: C/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)O.CCCCC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)O.O=C(O)CCC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\CCc1ccccc1.O=C(O)CCC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\COc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C23H27F3O4.C23H30O3.C20H32O3.C16H24O3/c24-23(25,26)18-11-10-12-19(17-18)29-16-9-8-14-21-20(30-21)13-6-4-2-1-3-5-7-15-22(27)28;24-23(25)19-13-5-3-1-2-4-11-17-21-22(26-21)18-12-7-10-16-20-14-8-6-9-15-20;1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22;1-2-3-11-14-15(19-14)12-9-7-5-4-6-8-10-13-16(17)18/h1,3-4,6,8-12,17,20-21H,2,5,7,13-16H2,(H,27,28);1,3-4,6-9,11-12,14-15,21-22H,2,5,10,13,16-19H2,(H,24,25);6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22);2-4,6-7,9,14-15H,5,8,10-13H2,1H3,(H,17,18)/b3-1-,6-4-,9-8-;3-1-,11-4-,12-7-;8-6-,12-9-,13-10-;3-2-,6-4-,9-7-/t20-,21+;21-,22+;18-,19+;14-,15+/m1100/s1
• InChIKey: ZIGJVEGNBXZYSE-NQFYEUQWSA-N
• XLogP: 20.72
• TPSA: 208.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 50
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1363.79
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid?

The IUPAC name of (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid (CID 162127715) is (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid.

What is the SMILES notation for (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid?

The canonical SMILES for (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid is C/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)O.CCCCC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)O.O=C(O)CCC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\CCc1ccccc1.O=C(O)CCC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\COc1cccc(C(F)(F)F)c1.

What is the InChIKey of (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid?

The InChIKey is ZIGJVEGNBXZYSE-NQFYEUQWSA-N. The full InChI is InChI=1S/C23H27F3O4.C23H30O3.C20H32O3.C16H24O3/c24-23(25,26)18-11-10-12-19(17-18)29-16-9-8-14-21-20(30-21)13-6-4-2-1-3-5-7-15-22(27)28;24-23(25)19-13-5-3-1-2-4-11-17-21-22(26-21)18-12-7-10-16-20-14-8-6-9-15-20;1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22;1-2-3-11-14-15(19-14)12-9-7-5-4-6-8-10-13-16(17)18/h1,3-4,6,8-12,17,20-21H,2,5,7,13-16H2,(H,27,28);1,3-4,6-9,11-12,14-15,21-22H,2,5,10,13,16-19H2,(H,24,25);6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22);2-4,6-7,9,14-15H,5,8,10-13H2,1H3,(H,17,18)/b3-1-,6-4-,9-8-;3-1-,11-4-,12-7-;8-6-,12-9-,13-10-;3-2-,6-4-,9-7-/t20-,21+;21-,22+;18-,19+;14-,15+/m1100/s1.

What are the key properties of (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid?

(5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid has a molecular weight of 1363.79 g/mol, XLogP of 20.72, 50 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,8Z)-10-[(2R,3S)-3-[(Z)-but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-5-phenylpent-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;(5Z,8Z)-10-[(2R,3S)-3-[(Z)-4-[3-(trifluoromethyl)phenoxy]but-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid is sourced from PubChem (CID 162127715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).