(4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one

C280H357Br5O35P2S10 — CID 161180918

IUPAC(4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one
SMILESC/C(C=O)=C\C=C\C=C(/C)C=O.CC(=CC=C/C(C)=C/C=C/C=C(\C)C=CC=C(C)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCBr)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCBr)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCO)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCO)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=O)OC/C=C(\C)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=O)OCC=C(C)CBr.CC1=C(CS(=O)(=O)c2ccc(C)cc2)C(C)(C)CCC1=O
InChIInChI=1S/C54H68O6S2.C40H44BrO3PS.C40H46BrO2PS.C24H32O5S.C22H29BrO3S.C22H31BrO2S.C22H30O4S.C22H32O3S.C17H22O3S.C10H12O2.C7H11BrO2/c1-37(19-15-21-41(5)35-49(51-43(7)47(55)31-33-53(51,9)10)61(57,58)45-27-23-39(3)24-28-45)17-13-14-18-38(2)20-16-22-42(6)36-50(52-44(8)48(56)32-34-54(52,11)12)62(59,60)46-29-25-40(4)26-30-46;1-30-21-23-36(24-22-30)46(43,44)38(39-32(3)37(42)25-27-40(39,4)5)29-31(2)26-28-45(41,33-15-9-6-10-16-33,34-17-11-7-12-18-34)35-19-13-8-14-20-35;1-31-23-25-37(26-24-31)45(42,43)38(39-33(3)16-15-28-40(39,4)5)30-32(2)27-29-44(41,34-17-9-6-10-18-34,35-19-11-7-12-20-35)36-21-13-8-14-22-36;1-16-7-9-20(10-8-16)30(27,28)22(15-17(2)12-14-29-19(4)25)23-18(3)21(26)11-13-24(23,5)6;1-15-6-8-18(9-7-15)27(25,26)20(14-16(2)11-13-23)21-17(3)19(24)10-12-22(21,4)5;1-16-8-10-19(11-9-16)26(24,25)20(15-17(2)12-14-23)21-18(3)7-6-13-22(21,4)5;1-15-6-8-18(9-7-15)27(25,26)20(14-16(2)11-13-23)21-17(3)19(24)10-12-22(21,4)5;1-16-8-10-19(11-9-16)26(24,25)20(15-17(2)12-14-23)21-18(3)7-6-13-22(21,4)5;1-12-5-7-14(8-6-12)21(19,20)11-15-13(2)16(18)9-10-17(15,3)4;1-9(7-11)5-3-4-6-10(2)8-12;1-6(5-8)3-4-10-7(2)9/h13-30,49-50H,31-36H2,1-12H3;6-24,26,38H,25,27-29H2,1-5H3;6-14,17-27,38H,15-16,28-30H2,1-5H3;7-10,12,22H,11,13-15H2,1-6H3;6-9,11,20H,10,12-14H2,1-5H3;8-12,20H,6-7,13-15H2,1-5H3;6-9,11,20,23H,10,12-14H2,1-5H3;8-12,20,23H,6-7,13-15H2,1-5H3;5-8H,9-11H2,1-4H3;3-8H,1-2H3;3H,4-5H2,1-2H3/b14-13+,19-15?,20-16?,37-17+,38-18+,41-21?,42-22?;;;17-12+;;;;;;4-3+,9-5+,10-6+;
InChIKeyUSLCICPXQYANRP-ZUSZSVKYSA-N
MW5065.04 g/mol
LogP64.87
Rot. Bonds77

About (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one

(4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one (PubChem CID 161180918) has the molecular formula C280H357Br5O35P2S10 and a molecular weight of 5065.04 g/mol. Its IUPAC name is (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one
PubChem CID161180918
Molecular FormulaC280H357Br5O35P2S10
Molecular Weight5065.04 g/mol
Exact Mass5055.88
IUPAC Name(4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one
SMILESC/C(C=O)=C\C=C\C=C(/C)C=O.CC(=CC=C/C(C)=C/C=C/C=C(\C)C=CC=C(C)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCBr)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCBr)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCO)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCO)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=O)OC/C=C(\C)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=O)OCC=C(C)CBr.CC1=C(CS(=O)(=O)c2ccc(C)cc2)C(C)(C)CCC1=O
InChIInChI=1S/C54H68O6S2.C40H44BrO3PS.C40H46BrO2PS.C24H32O5S.C22H29BrO3S.C22H31BrO2S.C22H30O4S.C22H32O3S.C17H22O3S.C10H12O2.C7H11BrO2/c1-37(19-15-21-41(5)35-49(51-43(7)47(55)31-33-53(51,9)10)61(57,58)45-27-23-39(3)24-28-45)17-13-14-18-38(2)20-16-22-42(6)36-50(52-44(8)48(56)32-34-54(52,11)12)62(59,60)46-29-25-40(4)26-30-46;1-30-21-23-36(24-22-30)46(43,44)38(39-32(3)37(42)25-27-40(39,4)5)29-31(2)26-28-45(41,33-15-9-6-10-16-33,34-17-11-7-12-18-34)35-19-13-8-14-20-35;1-31-23-25-37(26-24-31)45(42,43)38(39-33(3)16-15-28-40(39,4)5)30-32(2)27-29-44(41,34-17-9-6-10-18-34,35-19-11-7-12-20-35)36-21-13-8-14-22-36;1-16-7-9-20(10-8-16)30(27,28)22(15-17(2)12-14-29-19(4)25)23-18(3)21(26)11-13-24(23,5)6;1-15-6-8-18(9-7-15)27(25,26)20(14-16(2)11-13-23)21-17(3)19(24)10-12-22(21,4)5;1-16-8-10-19(11-9-16)26(24,25)20(15-17(2)12-14-23)21-18(3)7-6-13-22(21,4)5;1-15-6-8-18(9-7-15)27(25,26)20(14-16(2)11-13-23)21-17(3)19(24)10-12-22(21,4)5;1-16-8-10-19(11-9-16)26(24,25)20(15-17(2)12-14-23)21-18(3)7-6-13-22(21,4)5;1-12-5-7-14(8-6-12)21(19,20)11-15-13(2)16(18)9-10-17(15,3)4;1-9(7-11)5-3-4-6-10(2)8-12;1-6(5-8)3-4-10-7(2)9/h13-30,49-50H,31-36H2,1-12H3;6-24,26,38H,25,27-29H2,1-5H3;6-14,17-27,38H,15-16,28-30H2,1-5H3;7-10,12,22H,11,13-15H2,1-6H3;6-9,11,20H,10,12-14H2,1-5H3;8-12,20H,6-7,13-15H2,1-5H3;6-9,11,20,23H,10,12-14H2,1-5H3;8-12,20,23H,6-7,13-15H2,1-5H3;5-8H,9-11H2,1-4H3;3-8H,1-2H3;3H,4-5H2,1-2H3/b14-13+,19-15?,20-16?,37-17+,38-18+,41-21?,42-22?;;;17-12+;;;;;;4-3+,9-5+,10-6+;
InChIKeyUSLCICPXQYANRP-ZUSZSVKYSA-N
XLogP64.87
TPSA588.09 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds77
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005065.04
LogP ≤ 564.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one with MolForge

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Related Compounds

1-methyl-4-methylsulfonylbenzene;1-methyl-4-[(7E,9E,11E)-3,7,12,16-tetramethyl-18-(4-methylphenyl)sulfonyl-1,18-bis(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]sulfonylbenzene;1-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methylsulfonyl]benzene;(2E,4E,6E)-2,7,11-trimethyl-13-(4-methylphenyl)sulfonyl-13-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)trideca-2,4,6,8,10-pentaenal;1,3,3-trimethyl-2-[(1E,7E,9E,11E,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;2,4,4-trimethyl-3-[(1E,7E,9E,11E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
CID 160505763
bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane
CID 72652811
[3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienyl] acetate
CID 54229412
[3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl] acetate
CID 54282598
[1-hydroxy-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dien-5-yl] acetate
CID 70167126
3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-diene-1,5-diol
CID 70169338
CID 88999479
CID 88999479
1-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfonyl-4-methylbenzene
CID 85371560
[3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
CID 54524403
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 4-methylbenzenesulfonate
CID 122605086
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)(1,2,5,6-13C4)nona-2,4,6,8-tetraenyl] acetate
CID 10854046
[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
CID 5057

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one?
The IUPAC name of (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one (CID 161180918) is (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one?
The canonical SMILES for (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one is C/C(C=O)=C\C=C\C=C(/C)C=O.CC(=CC=C/C(C)=C/C=C/C=C(\C)C=CC=C(C)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCBr)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCBr)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCO)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCO)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=CCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)CC(C1=C(C)CCCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=O)OC/C=C(\C)CC(C1=C(C)C(=O)CCC1(C)C)S(=O)(=O)c1ccc(C)cc1.CC(=O)OCC=C(C)CBr.CC1=C(CS(=O)(=O)c2ccc(C)cc2)C(C)(C)CCC1=O.
What is the InChIKey of (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one?
The InChIKey is USLCICPXQYANRP-ZUSZSVKYSA-N. The full InChI is InChI=1S/C54H68O6S2.C40H44BrO3PS.C40H46BrO2PS.C24H32O5S.C22H29BrO3S.C22H31BrO2S.C22H30O4S.C22H32O3S.C17H22O3S.C10H12O2.C7H11BrO2/c1-37(19-15-21-41(5)35-49(51-43(7)47(55)31-33-53(51,9)10)61(57,58)45-27-23-39(3)24-28-45)17-13-14-18-38(2)20-16-22-42(6)36-50(52-44(8)48(56)32-34-54(52,11)12)62(59,60)46-29-25-40(4)26-30-46;1-30-21-23-36(24-22-30)46(43,44)38(39-32(3)37(42)25-27-40(39,4)5)29-31(2)26-28-45(41,33-15-9-6-10-16-33,34-17-11-7-12-18-34)35-19-13-8-14-20-35;1-31-23-25-37(26-24-31)45(42,43)38(39-33(3)16-15-28-40(39,4)5)30-32(2)27-29-44(41,34-17-9-6-10-18-34,35-19-11-7-12-20-35)36-21-13-8-14-22-36;1-16-7-9-20(10-8-16)30(27,28)22(15-17(2)12-14-29-19(4)25)23-18(3)21(26)11-13-24(23,5)6;1-15-6-8-18(9-7-15)27(25,26)20(14-16(2)11-13-23)21-17(3)19(24)10-12-22(21,4)5;1-16-8-10-19(11-9-16)26(24,25)20(15-17(2)12-14-23)21-18(3)7-6-13-22(21,4)5;1-15-6-8-18(9-7-15)27(25,26)20(14-16(2)11-13-23)21-17(3)19(24)10-12-22(21,4)5;1-16-8-10-19(11-9-16)26(24,25)20(15-17(2)12-14-23)21-18(3)7-6-13-22(21,4)5;1-12-5-7-14(8-6-12)21(19,20)11-15-13(2)16(18)9-10-17(15,3)4;1-9(7-11)5-3-4-6-10(2)8-12;1-6(5-8)3-4-10-7(2)9/h13-30,49-50H,31-36H2,1-12H3;6-24,26,38H,25,27-29H2,1-5H3;6-14,17-27,38H,15-16,28-30H2,1-5H3;7-10,12,22H,11,13-15H2,1-6H3;6-9,11,20H,10,12-14H2,1-5H3;8-12,20H,6-7,13-15H2,1-5H3;6-9,11,20,23H,10,12-14H2,1-5H3;8-12,20,23H,6-7,13-15H2,1-5H3;5-8H,9-11H2,1-4H3;3-8H,1-2H3;3H,4-5H2,1-2H3/b14-13+,19-15?,20-16?,37-17+,38-18+,41-21?,42-22?;;;17-12+;;;;;;4-3+,9-5+,10-6+;.
What are the key properties of (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one?
(4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one has a molecular weight of 5065.04 g/mol, XLogP of 64.87, 77 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylbut-2-enyl) acetate;3-[5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;bromo-[3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-triphenyl-λ5-phosphane;1-[5-bromo-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl]sulfonyl-4-methylbenzene;3-[5-[bromo(triphenyl)-λ5-phosphanyl]-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;3-[5-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpent-3-enyl]-2,4,4-trimethylcyclohex-2-en-1-one;3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol;[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl] acetate;2,4,4-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]cyclohex-2-en-1-one;2,4,4-trimethyl-3-[(7E,9E,11E)-3,7,12,16-tetramethyl-1,18-bis-(4-methylphenyl)sulfonyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaenyl]cyclohex-2-en-1-one is sourced from PubChem (CID 161180918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).