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

C77H121F6NO19 — CID 160706156

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

2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate (PubChem CID 160706156) has the molecular formula C77H121F6NO19 and a molecular weight of 1478.79 g/mol. Its IUPAC name is 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate.

Molecular Properties

• Compound Name: 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate
• PubChem CID: 160706156
• Molecular Formula: C77H121F6NO19
• Molecular Weight: 1478.79 g/mol
• Exact Mass: 1477.84
• IUPAC Name: 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate
• SMILES: CNC(=O)CO[C@H]1[C@H](C)/C=C(/C)COCCC(C(F)(F)F)CC/C=C/[C@@H]1OC.COC(=O)CO[C@H]1[C@H](C)/C=C(/C)COCCCCC/C=C/[C@@H]1OC.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
• InChI: InChI=1S/C20H32F3NO4.C19H27F3O5.C19H30O5.C19H32O5/c1-14-11-15(2)19(28-13-18(25)24-3)17(26-4)8-6-5-7-16(20(21,22)23)9-10-27-12-14;1-13-10-14(2)18(27-12-17(23)24)16(25-3)7-5-4-6-15(19(20,21)22)8-9-26-11-13;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;1-15-12-16(2)19(24-14-18(20)22-4)17(21-3)10-8-6-5-7-9-11-23-13-15/h6,8,11,15-17,19H,5,7,9-10,12-13H2,1-4H3,(H,24,25);5,7-8,10,14,16,18H,4,6,9,11-12H2,1-3H3,(H,23,24);6,8-9,11,16-17,19H,5,7,10,12-13H2,1-4H3,(H,20,21);8,10,12,16-17,19H,5-7,9,11,13-14H2,1-4H3/b8-6+,14-11-;7-5+,13-10-,15-8-;8-6+,14-9-,15-11-;10-8+,15-12-/t15-,16?,17+,19+;14-,16+,18+;2*16-,17+,19+/m1111/s1
• InChIKey: RRGHZWWFVYQZCR-JGHPNDRMSA-N
• XLogP: 14.21
• TPSA: 240.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.79
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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

The IUPAC name of 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate (CID 160706156) is 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate.

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

The canonical SMILES for 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate is CNC(=O)CO[C@H]1[C@H](C)/C=C(/C)COCCC(C(F)(F)F)CC/C=C/[C@@H]1OC.COC(=O)CO[C@H]1[C@H](C)/C=C(/C)COCCCCC/C=C/[C@@H]1OC.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.

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

The InChIKey is RRGHZWWFVYQZCR-JGHPNDRMSA-N. The full InChI is InChI=1S/C20H32F3NO4.C19H27F3O5.C19H30O5.C19H32O5/c1-14-11-15(2)19(28-13-18(25)24-3)17(26-4)8-6-5-7-16(20(21,22)23)9-10-27-12-14;1-13-10-14(2)18(27-12-17(23)24)16(25-3)7-5-4-6-15(19(20,21)22)8-9-26-11-13;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;1-15-12-16(2)19(24-14-18(20)22-4)17(21-3)10-8-6-5-7-9-11-23-13-15/h6,8,11,15-17,19H,5,7,9-10,12-13H2,1-4H3,(H,24,25);5,7-8,10,14,16,18H,4,6,9,11-12H2,1-3H3,(H,23,24);6,8-9,11,16-17,19H,5,7,10,12-13H2,1-4H3,(H,20,21);8,10,12,16-17,19H,5-7,9,11,13-14H2,1-4H3/b8-6+,14-11-;7-5+,13-10-,15-8-;8-6+,14-9-,15-11-;10-8+,15-12-/t15-,16?,17+,19+;14-,16+,18+;2*16-,17+,19+/m1111/s1.

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

2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate has a molecular weight of 1478.79 g/mol, XLogP of 14.21, 16 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;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,12Z)-7-methoxy-3,5,12-trimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate is sourced from PubChem (CID 160706156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).