2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene

C120H192 — CID 161047890

IUPAC2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene
SMILESC/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.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC.CC/C=C\C/C=C\C/C=C\CCCCCCCC.CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C22H34.2C20H30.C20H34.C20H32.C18H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;2*1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6;2*1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-17,19-20,22H,3-4,6,9,12,15,18,21H2,1-2H3;2*7-8,10-11,13-14H,9,12,15H2,1-6H3;9,11-12,14-15,17-18,20H,3-8,10,13,16,19H2,1-2H3;5,7,10-13,16-19H,3-4,6,8-9,14-15,20H2,1-2H3;5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5-,10-8-,13-11-,16-14-,19-17-,22-20-;10-8+,14-13+,16-7+,17-11+;10-8+,14-13+,16-7-,17-11+;11-9-,14-12-,17-15-,20-18-;7-5-,12-10-,13-11-,18-16-,19-17-;7-5-,13-11-,18-17-
InChIKeyUBSXGMXGCGDXJO-KAVDFDNESA-N
MW1634.86 g/mol
LogP41.24
Rot. Bonds58

About 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene

2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene (PubChem CID 161047890) has the molecular formula C120H192 and a molecular weight of 1634.86 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,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene.

Molecular Properties

Compound Name2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene
PubChem CID161047890
Molecular FormulaC120H192
Molecular Weight1634.86 g/mol
Exact Mass1633.50
IUPAC Name2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene
SMILESC/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.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC.CC/C=C\C/C=C\C/C=C\CCCCCCCC.CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C22H34.2C20H30.C20H34.C20H32.C18H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;2*1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6;2*1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-17,19-20,22H,3-4,6,9,12,15,18,21H2,1-2H3;2*7-8,10-11,13-14H,9,12,15H2,1-6H3;9,11-12,14-15,17-18,20H,3-8,10,13,16,19H2,1-2H3;5,7,10-13,16-19H,3-4,6,8-9,14-15,20H2,1-2H3;5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5-,10-8-,13-11-,16-14-,19-17-,22-20-;10-8+,14-13+,16-7+,17-11+;10-8+,14-13+,16-7-,17-11+;11-9-,14-12-,17-15-,20-18-;7-5-,12-10-,13-11-,18-16-,19-17-;7-5-,13-11-,18-17-
InChIKeyUBSXGMXGCGDXJO-KAVDFDNESA-N
XLogP41.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds58
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001634.86
LogP ≤ 541.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene with MolForge

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Related Compounds

[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 173087203
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (9Z,12Z)-heptadeca-9,12-dienoate
CID 165296204
2-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]octadeca-9,12-dienoic acid
CID 54238442
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (8Z,11Z)-octadeca-8,11-dienoate
CID 102425699
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (15Z,18Z)-hexacosa-15,18-dienoate
CID 165305781
2-[(7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 173264184
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;ethane
CID 142018580
acetyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate;(9Z,12Z)-octadeca-9,12-dienoic acid
CID 87603032
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(Z)-hexadec-9-enoic acid
CID 175595647
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (Z)-tetracos-13-enoate
CID 165274639
1,3,3-trimethyl-2-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 54612003
2-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]octadeca-9,11-dienoic acid
CID 91191344

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,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene?
The IUPAC name of 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene (CID 161047890) is 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene.
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,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene?
The canonical SMILES for 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene is 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.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC.CC/C=C\C/C=C\C/C=C\CCCCCCCC.CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.
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,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene?
The InChIKey is UBSXGMXGCGDXJO-KAVDFDNESA-N. The full InChI is InChI=1S/C22H34.2C20H30.C20H34.C20H32.C18H32/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;2*1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6;2*1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-17,19-20,22H,3-4,6,9,12,15,18,21H2,1-2H3;2*7-8,10-11,13-14H,9,12,15H2,1-6H3;9,11-12,14-15,17-18,20H,3-8,10,13,16,19H2,1-2H3;5,7,10-13,16-19H,3-4,6,8-9,14-15,20H2,1-2H3;5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5-,10-8-,13-11-,16-14-,19-17-,22-20-;10-8+,14-13+,16-7+,17-11+;10-8+,14-13+,16-7-,17-11+;11-9-,14-12-,17-15-,20-18-;7-5-,12-10-,13-11-,18-16-,19-17-;7-5-,13-11-,18-17-.
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,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene?
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;2-[(1E,3E,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene has a molecular weight of 1634.86 g/mol, XLogP of 41.24, 58 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,5E,7Z)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene;(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;(3Z,6Z,9Z,12Z,15Z)-icosa-3,6,9,12,15-pentaene;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene;(3Z,6Z,9Z)-octadeca-3,6,9-triene is sourced from PubChem (CID 161047890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).