2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium

C128H187Y- — CID 161112916

About 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium

2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium (PubChem CID 161112916) has the molecular formula C128H187Y- and a molecular weight of 1814.81 g/mol. Its IUPAC name is 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium.

Molecular Properties

• Compound Name: 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium
• PubChem CID: 161112916
• Molecular Formula: C128H187Y-
• Molecular Weight: 1814.81 g/mol
• Exact Mass: 1813.37
• IUPAC Name: 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium
• SMILES: C.C.C/C=C(C)/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C.CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C.[H]/[C-]=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.[Y]
• InChI: InChI=1S/2C30H42.C27H38.C20H30.C19H27.2CH4.Y/c1-9-24(2)19-20-26(4)15-11-10-14-25(3)16-12-17-27(5)21-22-29-28(6)18-13-23-30(29,7)8;1-25(2)15-11-19-27(5)17-9-10-18-28(6)21-13-23-30(8)24-14-22-29(7)20-12-16-26(3)4;1-8-14-24(4)16-9-10-17-25(5)19-12-21-27(7)22-13-20-26(6)18-11-15-23(2)3;1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6;1-15(2)9-7-10-16(3)12-13-18-17(4)11-8-14-19(18,5)6;;;/h9-12,14-17,19-22H,13,18,23H2,1-8H3;9-11,13-19,21-24H,12,20H2,1-8H3;8-10,12-17,19-22H,11,18H2,1-7H3;7-8,10-11,13-14H,9,12,15H2,1-6H3;1,7,9-10,12-13H,8,11,14H2,2-6H3;2*1H4;/q;;;;-1;;;/b11-10+,16-12+,20-19+,22-21+,24-9+,25-14+,26-15+,27-17+;10-9+,19-11+,21-13+,24-14+,27-17+,28-18+,29-22+,30-23+;10-9+,14-8+,19-12+,22-13+,24-16+,25-17+,26-20+,27-21+;10-8+,14-13+,16-7+,17-11+;9-7-,13-12+,16-10+
• InChIKey: JYQMSSPXTZKKPA-VFGLVMMESA-N
• XLogP: 41.77
• TPSA: 0.00 Ų
• Rotatable Bonds: 37
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1814.81
LogP ≤ 5	41.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium?

The IUPAC name of 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium (CID 161112916) is 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium.

What is the SMILES notation for 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium?

The canonical SMILES for 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium is C.C.C/C=C(C)/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C.CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C.[H]/[C-]=C(C)\C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.[Y].

What is the InChIKey of 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium?

The InChIKey is JYQMSSPXTZKKPA-VFGLVMMESA-N. The full InChI is InChI=1S/2C30H42.C27H38.C20H30.C19H27.2CH4.Y/c1-9-24(2)19-20-26(4)15-11-10-14-25(3)16-12-17-27(5)21-22-29-28(6)18-13-23-30(29,7)8;1-25(2)15-11-19-27(5)17-9-10-18-28(6)21-13-23-30(8)24-14-22-29(7)20-12-16-26(3)4;1-8-14-24(4)16-9-10-17-25(5)19-12-21-27(7)22-13-20-26(6)18-11-15-23(2)3;1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6;1-15(2)9-7-10-16(3)12-13-18-17(4)11-8-14-19(18,5)6;;;/h9-12,14-17,19-22H,13,18,23H2,1-8H3;9-11,13-19,21-24H,12,20H2,1-8H3;8-10,12-17,19-22H,11,18H2,1-7H3;7-8,10-11,13-14H,9,12,15H2,1-6H3;1,7,9-10,12-13H,8,11,14H2,2-6H3;2*1H4;/q;;;;-1;;;/b11-10+,16-12+,20-19+,22-21+,24-9+,25-14+,26-15+,27-17+;10-9+,19-11+,21-13+,24-14+,27-17+,28-18+,29-22+,30-23+;10-9+,14-8+,19-12+,22-13+,24-16+,25-17+,26-20+,27-21+;10-8+,14-13+,16-7+,17-11+;9-7-,13-12+,16-10+;;;.

What are the key properties of 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium?

2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium has a molecular weight of 1814.81 g/mol, XLogP of 41.77, 37 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5Z)-3,7-dimethylocta-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene;methane;(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaene;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,15-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene;yttrium is sourced from PubChem (CID 161112916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).