(4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol

C133H194F6O19 — CID 160555427

About (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol

(4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol (PubChem CID 160555427) has the molecular formula C133H194F6O19 and a molecular weight of 2210.98 g/mol. Its IUPAC name is (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol.

Molecular Properties

• Compound Name: (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol
• PubChem CID: 160555427
• Molecular Formula: C133H194F6O19
• Molecular Weight: 2210.98 g/mol
• Exact Mass: 2209.41
• IUPAC Name: (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol
• SMILES: C/C(=C\CC1C(O)C=CC(=O)C1C(F)(F)F)CC/C=C(\C)CCC(=O)O.C/C(=C\CC1C(O)C=CC(=O)C1C)CC/C=C(\C)CCC(=O)O.C/C(=C\CC1C(O)C=CC(O)C1C(F)(F)F)CC/C=C(\C)CCCC(C)C.CC(=O)OC1C=CC(=O)C(C)C1C/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC(=O)Oc1ccc(O)c(C)c1C/C=C(\C)CC/C=C(\C)CCC=C(C)C.COc1ccc(OC(C)=O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1C
• InChI: InChI=1S/C25H36O3.C24H36O3.C24H34O3.C22H35F3O2.C19H25F3O4.C19H28O4/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-23-21(5)24(27-7)16-17-25(23)28-22(6)26;2*1-17(2)9-7-10-18(3)11-8-12-19(4)13-14-22-20(5)23(26)15-16-24(22)27-21(6)25;1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-19(26)13-14-20(27)21(18)22(23,24)25;1-12(4-3-5-13(2)7-11-17(25)26)6-8-14-15(23)9-10-16(24)18(14)19(20,21)22;1-13(5-4-6-14(2)8-12-19(22)23)7-9-16-15(3)17(20)10-11-18(16)21/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3;9,11,13,15-16,20,22,24H,7-8,10,12,14H2,1-6H3;9,11,13,15-16,26H,7-8,10,12,14H2,1-6H3;9,11,13-15,18-21,26-27H,5-8,10,12H2,1-4H3;5-6,9-10,14-15,18,23H,3-4,7-8,11H2,1-2H3,(H,25,26);6-7,10-11,15-16,18,21H,4-5,8-9,12H2,1-3H3,(H,22,23)/b19-12+,20-14+;2*18-11+,19-13+;16-9+,17-11+;12-6+,13-5+;13-7+,14-6+
• InChIKey: QYPSJTPDMUMXBA-CWUCMRKKSA-N
• XLogP: 33.43
• TPSA: 315.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 53
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.98
LogP ≤ 5	33.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol?

The IUPAC name of (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol (CID 160555427) is (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol.

What is the SMILES notation for (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol?

The canonical SMILES for (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol is C/C(=C\CC1C(O)C=CC(=O)C1C(F)(F)F)CC/C=C(\C)CCC(=O)O.C/C(=C\CC1C(O)C=CC(=O)C1C)CC/C=C(\C)CCC(=O)O.C/C(=C\CC1C(O)C=CC(O)C1C(F)(F)F)CC/C=C(\C)CCCC(C)C.CC(=O)OC1C=CC(=O)C(C)C1C/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC(=O)Oc1ccc(O)c(C)c1C/C=C(\C)CC/C=C(\C)CCC=C(C)C.COc1ccc(OC(C)=O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1C.

What is the InChIKey of (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol?

The InChIKey is QYPSJTPDMUMXBA-CWUCMRKKSA-N. The full InChI is InChI=1S/C25H36O3.C24H36O3.C24H34O3.C22H35F3O2.C19H25F3O4.C19H28O4/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-23-21(5)24(27-7)16-17-25(23)28-22(6)26;2*1-17(2)9-7-10-18(3)11-8-12-19(4)13-14-22-20(5)23(26)15-16-24(22)27-21(6)25;1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-19(26)13-14-20(27)21(18)22(23,24)25;1-12(4-3-5-13(2)7-11-17(25)26)6-8-14-15(23)9-10-16(24)18(14)19(20,21)22;1-13(5-4-6-14(2)8-12-19(22)23)7-9-16-15(3)17(20)10-11-18(16)21/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3;9,11,13,15-16,20,22,24H,7-8,10,12,14H2,1-6H3;9,11,13,15-16,26H,7-8,10,12,14H2,1-6H3;9,11,13-15,18-21,26-27H,5-8,10,12H2,1-4H3;5-6,9-10,14-15,18,23H,3-4,7-8,11H2,1-2H3,(H,25,26);6-7,10-11,15-16,18,21H,4-5,8-9,12H2,1-3H3,(H,22,23)/b19-12+,20-14+;2*18-11+,19-13+;16-9+,17-11+;12-6+,13-5+;13-7+,14-6+.

What are the key properties of (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol?

(4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol has a molecular weight of 2210.98 g/mol, XLogP of 33.43, 53 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,8E)-10-(2-hydroxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid;[4-hydroxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;(4E,8E)-10-[2-hydroxy-5-oxo-6-(trifluoromethyl)cyclohex-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid;[4-methoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate;[5-methyl-4-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-yl] acetate;5-(trifluoromethyl)-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6-dienyl]cyclohex-2-ene-1,4-diol is sourced from PubChem (CID 160555427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).