2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid)

C128H201F3O33 — CID 161314642

About 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid)

2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid) (PubChem CID 161314642) has the molecular formula C128H201F3O33 and a molecular weight of 2324.98 g/mol. Its IUPAC name is 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid).

Molecular Properties

• Compound Name: 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid)
• PubChem CID: 161314642
• Molecular Formula: C128H201F3O33
• Molecular Weight: 2324.98 g/mol
• Exact Mass: 2323.40
• IUPAC Name: 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid)
• SMILES: CO[C@H]1/C=C/CC/C(C(F)(F)F)=C/COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CC/C(C)=C/COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CC/C(C)=C\COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CC/C(C)=C\COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CC/C=C/COC/C(C)=C\[C@@H](C)[C@@H]1O.CO[C@H]1/C=C/CC/C=C/COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CCCCCOC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O
• InChI: InChI=1S/C19H27F3O5.3C19H30O5.C18H30O5.C18H28O5.C16H26O3/c1-13-10-14(2)18(27-12-17(23)24)16(25-3)7-5-4-6-15(19(20,21)22)8-9-26-11-13;3*1-14-7-5-6-8-17(22-4)19(24-13-18(20)21)16(3)11-15(2)12-23-10-9-14;2*1-14-11-15(2)18(23-13-17(19)20)16(21-3)9-7-5-4-6-8-10-22-12-14;1-13-11-14(2)16(17)15(18-3)9-7-5-4-6-8-10-19-12-13/h5,7-8,10,14,16,18H,4,6,9,11-12H2,1-3H3,(H,23,24);3*6,8-9,11,16-17,19H,5,7,10,12-13H2,1-4H3,(H,20,21);7,9,11,15-16,18H,4-6,8,10,12-13H2,1-3H3,(H,19,20);6-9,11,15-16,18H,4-5,10,12-13H2,1-3H3,(H,19,20);6-9,11,14-17H,4-5,10,12H2,1-3H3/b7-5+,13-10-,15-8-;8-6+,14-9+,15-11-;2*8-6+,14-9-,15-11-;9-7+,14-11-;8-6+,9-7+,14-11-;8-6+,9-7+,13-11-/t14-,16+,18+;3*16-,17+,19+;2*15-,16+,18+;14-,15+,16+/m1111111/s1
• InChIKey: VJILORCLBLUVOF-IMZLOZBHSA-N
• XLogP: 23.05
• TPSA: 428.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2324.98
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid)?

The IUPAC name of 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid) (CID 161314642) is 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid).

What is the SMILES notation for 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid)?

The canonical SMILES for 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid) is CO[C@H]1/C=C/CC/C(C(F)(F)F)=C/COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CC/C(C)=C/COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CC/C(C)=C\COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CC/C(C)=C\COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CC/C=C/COC/C(C)=C\[C@@H](C)[C@@H]1O.CO[C@H]1/C=C/CC/C=C/COC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.CO[C@H]1/C=C/CCCCCOC/C(C)=C\[C@@H](C)[C@@H]1OCC(=O)O.

What is the InChIKey of 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid)?

The InChIKey is VJILORCLBLUVOF-IMZLOZBHSA-N. The full InChI is InChI=1S/C19H27F3O5.3C19H30O5.C18H30O5.C18H28O5.C16H26O3/c1-13-10-14(2)18(27-12-17(23)24)16(25-3)7-5-4-6-15(19(20,21)22)8-9-26-11-13;3*1-14-7-5-6-8-17(22-4)19(24-13-18(20)21)16(3)11-15(2)12-23-10-9-14;2*1-14-11-15(2)18(23-13-17(19)20)16(21-3)9-7-5-4-6-8-10-22-12-14;1-13-11-14(2)16(17)15(18-3)9-7-5-4-6-8-10-19-12-13/h5,7-8,10,14,16,18H,4,6,9,11-12H2,1-3H3,(H,23,24);3*6,8-9,11,16-17,19H,5,7,10,12-13H2,1-4H3,(H,20,21);7,9,11,15-16,18H,4-6,8,10,12-13H2,1-3H3,(H,19,20);6-9,11,15-16,18H,4-5,10,12-13H2,1-3H3,(H,19,20);6-9,11,14-17H,4-5,10,12H2,1-3H3/b7-5+,13-10-,15-8-;8-6+,14-9+,15-11-;2*8-6+,14-9-,15-11-;9-7+,14-11-;8-6+,9-7+,14-11-;8-6+,9-7+,13-11-/t14-,16+,18+;3*16-,17+,19+;2*15-,16+,18+;14-,15+,16+/m1111111/s1.

What are the key properties of 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid)?

2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid) has a molecular weight of 2324.98 g/mol, XLogP of 23.05, 25 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetic acid;(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;2-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;bis(2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid) is sourced from PubChem (CID 161314642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).