(2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene

C156H238Cl2O5S4 — CID 157281328

IUPAC(2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
SMILESC/C=C\C(=C/C)COC/C=C(\C)CC/C=C(\C)CCl.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)Sc1ccccc1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CCl)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)COC1CCCCO1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1
InChIInChI=1S/C48H68S2.C32H48O2S.C27H39ClS.C17H27ClO.C16H28O2.C16H28/c1-10-21-39(4)24-18-26-41(6)34-47(49-45-30-13-11-14-31-45)36-43(8)28-20-29-44(9)37-48(50-46-32-15-12-16-33-46)35-42(7)27-19-25-40(5)23-17-22-38(2)3;1-6-14-26(2)15-12-16-27(3)23-31(35-30-19-8-7-9-20-30)24-28(4)17-13-18-29(5)25-34-32-21-10-11-22-33-32;1-6-12-22(2)13-10-14-23(3)19-27(29-26-17-8-7-9-18-26)20-24(4)15-11-16-25(5)21-28;1-5-8-17(6-2)14-19-12-11-15(3)9-7-10-16(4)13-18;1-4-8-14(2)9-7-10-15(3)13-18-16-11-5-6-12-17-16;1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h11-16,21-22,25-26,29-33,35-36,47-48H,10,17-20,23-24,27-28,34,37H2,1-9H3;7-9,14,16,18-20,24,31-32H,6,10-13,15,17,21-23,25H2,1-5H3;7-9,12,14,16-18,20,27H,6,10-11,13,15,19,21H2,1-5H3;5-6,8,10-11H,7,9,12-14H2,1-4H3;8,10,16H,4-7,9,11-13H2,1-3H3;9-10,13H,6-8,11-12H2,1-5H3/b39-21+,40-25+,41-26+,42-35+,43-36+,44-29+;26-14+,27-16+,28-24+,29-18+;22-12+,23-14+,24-20+,25-16+;8-5-,15-11+,16-10+,17-6+;14-8+,15-10+;15-9+,16-13+
InChIKeyAZRVMYAGPGTWDZ-XMRXGKJJSA-N
MW2392.79 g/mol
LogP51.50
Rot. Bonds74

About (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene

(2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene (PubChem CID 157281328) has the molecular formula C156H238Cl2O5S4 and a molecular weight of 2392.79 g/mol. Its IUPAC name is (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Name(2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
PubChem CID157281328
Molecular FormulaC156H238Cl2O5S4
Molecular Weight2392.79 g/mol
Exact Mass2389.66
IUPAC Name(2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
SMILESC/C=C\C(=C/C)COC/C=C(\C)CC/C=C(\C)CCl.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)Sc1ccccc1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CCl)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)COC1CCCCO1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1
InChIInChI=1S/C48H68S2.C32H48O2S.C27H39ClS.C17H27ClO.C16H28O2.C16H28/c1-10-21-39(4)24-18-26-41(6)34-47(49-45-30-13-11-14-31-45)36-43(8)28-20-29-44(9)37-48(50-46-32-15-12-16-33-46)35-42(7)27-19-25-40(5)23-17-22-38(2)3;1-6-14-26(2)15-12-16-27(3)23-31(35-30-19-8-7-9-20-30)24-28(4)17-13-18-29(5)25-34-32-21-10-11-22-33-32;1-6-12-22(2)13-10-14-23(3)19-27(29-26-17-8-7-9-18-26)20-24(4)15-11-16-25(5)21-28;1-5-8-17(6-2)14-19-12-11-15(3)9-7-10-16(4)13-18;1-4-8-14(2)9-7-10-15(3)13-18-16-11-5-6-12-17-16;1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h11-16,21-22,25-26,29-33,35-36,47-48H,10,17-20,23-24,27-28,34,37H2,1-9H3;7-9,14,16,18-20,24,31-32H,6,10-13,15,17,21-23,25H2,1-5H3;7-9,12,14,16-18,20,27H,6,10-11,13,15,19,21H2,1-5H3;5-6,8,10-11H,7,9,12-14H2,1-4H3;8,10,16H,4-7,9,11-13H2,1-3H3;9-10,13H,6-8,11-12H2,1-5H3/b39-21+,40-25+,41-26+,42-35+,43-36+,44-29+;26-14+,27-16+,28-24+,29-18+;22-12+,23-14+,24-20+,25-16+;8-5-,15-11+,16-10+,17-6+;14-8+,15-10+;15-9+,16-13+
InChIKeyAZRVMYAGPGTWDZ-XMRXGKJJSA-N
XLogP51.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds74
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002392.79
LogP ≤ 551.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene?
The IUPAC name of (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene (CID 157281328) is (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene.
What is the SMILES notation for (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene?
The canonical SMILES for (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene is C/C=C\C(=C/C)COC/C=C(\C)CC/C=C(\C)CCl.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CCC=C(C)C)Sc1ccccc1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)CCl)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CC(/C=C(\C)CC/C=C(\C)COC1CCCCO1)Sc1ccccc1.CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC/C=C(\C)CC/C=C(\C)COC1CCCCO1.
What is the InChIKey of (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene?
The InChIKey is AZRVMYAGPGTWDZ-XMRXGKJJSA-N. The full InChI is InChI=1S/C48H68S2.C32H48O2S.C27H39ClS.C17H27ClO.C16H28O2.C16H28/c1-10-21-39(4)24-18-26-41(6)34-47(49-45-30-13-11-14-31-45)36-43(8)28-20-29-44(9)37-48(50-46-32-15-12-16-33-46)35-42(7)27-19-25-40(5)23-17-22-38(2)3;1-6-14-26(2)15-12-16-27(3)23-31(35-30-19-8-7-9-20-30)24-28(4)17-13-18-29(5)25-34-32-21-10-11-22-33-32;1-6-12-22(2)13-10-14-23(3)19-27(29-26-17-8-7-9-18-26)20-24(4)15-11-16-25(5)21-28;1-5-8-17(6-2)14-19-12-11-15(3)9-7-10-16(4)13-18;1-4-8-14(2)9-7-10-15(3)13-18-16-11-5-6-12-17-16;1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h11-16,21-22,25-26,29-33,35-36,47-48H,10,17-20,23-24,27-28,34,37H2,1-9H3;7-9,14,16,18-20,24,31-32H,6,10-13,15,17,21-23,25H2,1-5H3;7-9,12,14,16-18,20,27H,6,10-11,13,15,19,21H2,1-5H3;5-6,8,10-11H,7,9,12-14H2,1-4H3;8,10,16H,4-7,9,11-13H2,1-3H3;9-10,13H,6-8,11-12H2,1-5H3/b39-21+,40-25+,41-26+,42-35+,43-36+,44-29+;26-14+,27-16+,28-24+,29-18+;22-12+,23-14+,24-20+,25-16+;8-5-,15-11+,16-10+,17-6+;14-8+,15-10+;15-9+,16-13+.
What are the key properties of (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene?
(2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene has a molecular weight of 2392.79 g/mol, XLogP of 51.50, 74 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-1-chloro-8-[(Z,2E)-2-ethylidenepent-3-enoxy]-2,6-dimethylocta-2,6-diene;[(2E,6E,10E,14E)-1-chloro-2,6,10,14-tetramethylheptadeca-2,6,10,14-tetraen-8-yl]sulfanylbenzene;2-[(2E,6E)-2,6-dimethylnona-2,6-dienoxy]oxane;[(3E,7E,11E,15E,19E,23E)-4,8,12,16,20,24,28-heptamethyl-18-phenylsulfanylnonacosa-3,7,11,15,19,23,27-heptaen-10-yl]sulfanylbenzene;2-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-8-phenylsulfanylheptadeca-2,6,10,14-tetraenoxy]oxane;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene is sourced from PubChem (CID 157281328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).