hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol

C276H450N12O51S6 — CID 161242992

IUPAChexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol
SMILESC#CCCCC(O)COc1c(C)cc(C2(c3cc(C)c(OCC(C)CO)c(C)c3)CCCCC2)cc1C.C#CCCCC(O)COc1c(C)cc(Cc2cc(C)c(OCC(O)CC)c(C)c2)cc1C.C#CCCCC(O)COc1ccc(C2(c3ccc(OCC(C)CO)cc3)CCCCC2)cc1.C#CCOCC(O)COc1c(C)cc(Cc2cc(C)c(OCC(C)CO)c(C)c2)cc1C.C#CCOCC(O)COc1ccc(C2(c3ccc(OCC(O)CC)cc3)CCCCC2)cc1.C#CCOCC(O)COc1ccc(Cc2ccc(OCC(O)CC)cc2)cc1.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O
InChIInChI=1S/C33H46O4.C29H38O4.C28H36O5.C28H38O4.C27H36O5.C23H28O5.6C7H13NO.6C6H13N.6C5H12O3S/c1-7-8-10-13-30(35)22-37-32-26(5)18-29(19-27(32)6)33(14-11-9-12-15-33)28-16-24(3)31(25(4)17-28)36-21-23(2)20-34;1-3-4-6-9-26(31)22-33-28-16-12-25(13-17-28)29(18-7-5-8-19-29)24-10-14-27(15-11-24)32-21-23(2)20-30;1-3-18-31-19-25(30)21-33-27-14-10-23(11-15-27)28(16-6-5-7-17-28)22-8-12-26(13-9-22)32-20-24(29)4-2;1-7-9-10-11-26(30)18-32-28-21(5)14-24(15-22(28)6)16-23-12-19(3)27(20(4)13-23)31-17-25(29)8-2;1-7-8-30-16-25(29)17-32-27-21(5)11-24(12-22(27)6)13-23-9-19(3)26(20(4)10-23)31-15-18(2)14-28;1-3-13-26-15-21(25)17-28-23-11-7-19(8-12-23)14-18-5-9-22(10-6-18)27-16-20(24)4-2;6*1-5-6(9)8-7(2,3)4;6*1-6(2,3)7-4-5-7;6*1-5(2,3)8-9(4,6)7/h1,16-19,23,30,34-35H,8-15,20-22H2,2-6H3;1,10-17,23,26,30-31H,4-9,18-22H2,2H3;1,8-15,24-25,29-30H,4-7,16-21H2,2H3;1,12-15,25-26,29-30H,8-11,16-18H2,2-6H3;1,9-12,18,25,28-29H,8,13-17H2,2-6H3;1,5-12,20-21,24-25H,4,13-17H2,2H3;6*5H,1H2,2-4H3,(H,8,9);6*4-5H2,1-3H3;6*1-4H3
InChIKeyVAGJCDZQYATDEU-UHFFFAOYSA-N
MW4945.07 g/mol
LogP46.30
Rot. Bonds84

About hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol

hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol (PubChem CID 161242992) has the molecular formula C276H450N12O51S6 and a molecular weight of 4945.07 g/mol. Its IUPAC name is hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Namehexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol
PubChem CID161242992
Molecular FormulaC276H450N12O51S6
Molecular Weight4945.07 g/mol
Exact Mass4941.13
IUPAC Namehexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol
SMILESC#CCCCC(O)COc1c(C)cc(C2(c3cc(C)c(OCC(C)CO)c(C)c3)CCCCC2)cc1C.C#CCCCC(O)COc1c(C)cc(Cc2cc(C)c(OCC(O)CC)c(C)c2)cc1C.C#CCCCC(O)COc1ccc(C2(c3ccc(OCC(C)CO)cc3)CCCCC2)cc1.C#CCOCC(O)COc1c(C)cc(Cc2cc(C)c(OCC(C)CO)c(C)c2)cc1C.C#CCOCC(O)COc1ccc(C2(c3ccc(OCC(O)CC)cc3)CCCCC2)cc1.C#CCOCC(O)COc1ccc(Cc2ccc(OCC(O)CC)cc2)cc1.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O
InChIInChI=1S/C33H46O4.C29H38O4.C28H36O5.C28H38O4.C27H36O5.C23H28O5.6C7H13NO.6C6H13N.6C5H12O3S/c1-7-8-10-13-30(35)22-37-32-26(5)18-29(19-27(32)6)33(14-11-9-12-15-33)28-16-24(3)31(25(4)17-28)36-21-23(2)20-34;1-3-4-6-9-26(31)22-33-28-16-12-25(13-17-28)29(18-7-5-8-19-29)24-10-14-27(15-11-24)32-21-23(2)20-30;1-3-18-31-19-25(30)21-33-27-14-10-23(11-15-27)28(16-6-5-7-17-28)22-8-12-26(13-9-22)32-20-24(29)4-2;1-7-9-10-11-26(30)18-32-28-21(5)14-24(15-22(28)6)16-23-12-19(3)27(20(4)13-23)31-17-25(29)8-2;1-7-8-30-16-25(29)17-32-27-21(5)11-24(12-22(27)6)13-23-9-19(3)26(20(4)10-23)31-15-18(2)14-28;1-3-13-26-15-21(25)17-28-23-11-7-19(8-12-23)14-18-5-9-22(10-6-18)27-16-20(24)4-2;6*1-5-6(9)8-7(2,3)4;6*1-6(2,3)7-4-5-7;6*1-5(2,3)8-9(4,6)7/h1,16-19,23,30,34-35H,8-15,20-22H2,2-6H3;1,10-17,23,26,30-31H,4-9,18-22H2,2H3;1,8-15,24-25,29-30H,4-7,16-21H2,2H3;1,12-15,25-26,29-30H,8-11,16-18H2,2-6H3;1,9-12,18,25,28-29H,8,13-17H2,2-6H3;1,5-12,20-21,24-25H,4,13-17H2,2H3;6*5H,1H2,2-4H3,(H,8,9);6*4-5H2,1-3H3;6*1-4H3
InChIKeyVAGJCDZQYATDEU-UHFFFAOYSA-N
XLogP46.30
TPSA834.09 Ų
H-Bond Donors18
H-Bond Acceptors57
Rotatable Bonds84
Heavy Atoms345
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004945.07
LogP ≤ 546.30
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1057

Analyze hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol?
The IUPAC name of hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol (CID 161242992) is hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol.
What is the SMILES notation for hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol?
The canonical SMILES for hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol is C#CCCCC(O)COc1c(C)cc(C2(c3cc(C)c(OCC(C)CO)c(C)c3)CCCCC2)cc1C.C#CCCCC(O)COc1c(C)cc(Cc2cc(C)c(OCC(O)CC)c(C)c2)cc1C.C#CCCCC(O)COc1ccc(C2(c3ccc(OCC(C)CO)cc3)CCCCC2)cc1.C#CCOCC(O)COc1c(C)cc(Cc2cc(C)c(OCC(C)CO)c(C)c2)cc1C.C#CCOCC(O)COc1ccc(C2(c3ccc(OCC(O)CC)cc3)CCCCC2)cc1.C#CCOCC(O)COc1ccc(Cc2ccc(OCC(O)CC)cc2)cc1.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)C.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)N1CC1.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.CC(C)(C)OS(C)(=O)=O.
What is the InChIKey of hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol?
The InChIKey is VAGJCDZQYATDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46O4.C29H38O4.C28H36O5.C28H38O4.C27H36O5.C23H28O5.6C7H13NO.6C6H13N.6C5H12O3S/c1-7-8-10-13-30(35)22-37-32-26(5)18-29(19-27(32)6)33(14-11-9-12-15-33)28-16-24(3)31(25(4)17-28)36-21-23(2)20-34;1-3-4-6-9-26(31)22-33-28-16-12-25(13-17-28)29(18-7-5-8-19-29)24-10-14-27(15-11-24)32-21-23(2)20-30;1-3-18-31-19-25(30)21-33-27-14-10-23(11-15-27)28(16-6-5-7-17-28)22-8-12-26(13-9-22)32-20-24(29)4-2;1-7-9-10-11-26(30)18-32-28-21(5)14-24(15-22(28)6)16-23-12-19(3)27(20(4)13-23)31-17-25(29)8-2;1-7-8-30-16-25(29)17-32-27-21(5)11-24(12-22(27)6)13-23-9-19(3)26(20(4)10-23)31-15-18(2)14-28;1-3-13-26-15-21(25)17-28-23-11-7-19(8-12-23)14-18-5-9-22(10-6-18)27-16-20(24)4-2;6*1-5-6(9)8-7(2,3)4;6*1-6(2,3)7-4-5-7;6*1-5(2,3)8-9(4,6)7/h1,16-19,23,30,34-35H,8-15,20-22H2,2-6H3;1,10-17,23,26,30-31H,4-9,18-22H2,2H3;1,8-15,24-25,29-30H,4-7,16-21H2,2H3;1,12-15,25-26,29-30H,8-11,16-18H2,2-6H3;1,9-12,18,25,28-29H,8,13-17H2,2-6H3;1,5-12,20-21,24-25H,4,13-17H2,2H3;6*5H,1H2,2-4H3,(H,8,9);6*4-5H2,1-3H3;6*1-4H3.
What are the key properties of hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol?
hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol has a molecular weight of 4945.07 g/mol, XLogP of 46.30, 84 rotatable bonds, 18 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1-tert-butylaziridine);hexakis(tert-butyl methanesulfonate);hexakis(N-tert-butylprop-2-enamide);1-[4-[[4-(2-hydroxybutoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]cyclohexyl]-2,6-dimethylphenoxy]hept-6-yn-2-ol;1-[4-[1-[4-(3-hydroxy-2-methylpropoxy)phenyl]cyclohexyl]phenoxy]hept-6-yn-2-ol;3-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]-2-methylpropan-1-ol;1-[4-[1-[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]cyclohexyl]phenoxy]butan-2-ol;1-[4-[[4-(2-hydroxy-3-prop-2-ynoxypropoxy)phenyl]methyl]phenoxy]butan-2-ol is sourced from PubChem (CID 161242992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).