bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate

C274H438O26 — CID 162001802

IUPACbis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1CCC(CC2CCC(CCCC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(Cc2ccc(/C=C\C(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@@H]4OOC/C=C/c3ccc(CC4CCC(C)CC4)cc3)cc2)CC1.CC1CCC(Cc2ccc(C(=O)O[C@H](c3ccccc3)[C@H](OC(=O)c3ccc(CC4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(Cc2ccc(COO[C@H]3CO[C@@H]4C(OC(=O)c5ccc(CC6CCC(C)CC6)cc5)CO[C@H]34)cc2)CC1.CC1CCC(Cc2ccc(COO[C@H]3CO[C@@H]4C(OC(=O)c5ccc(CC6CCC(C)CC6)cc5)CO[C@H]34)cc2)CC1.CCc1ccc(C(=O)OC)cc1.CCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C44H50O4.C40H52O6.2C36H48O6.C31H56.C23H24.C22H20O2.C10H12O2.32CH4/c1-31-13-17-33(18-14-31)29-35-21-25-39(26-22-35)43(45)47-41(37-9-5-3-6-10-37)42(38-11-7-4-8-12-38)48-44(46)40-27-23-36(24-28-40)30-34-19-15-32(2)16-20-34;1-28-5-9-32(10-6-28)24-34-17-13-30(14-18-34)4-3-23-44-46-37-27-43-39-36(26-42-40(37)39)45-38(41)22-21-31-15-19-35(20-16-31)25-33-11-7-29(2)8-12-33;2*1-24-3-7-26(8-4-24)19-28-11-13-30(14-12-28)21-40-42-33-23-39-34-32(22-38-35(33)34)41-36(37)31-17-15-29(16-18-31)20-27-9-5-25(2)6-10-27;1-24-6-10-28(11-7-24)22-30-18-14-26(15-19-30)4-3-5-27-16-20-31(21-17-27)23-29-12-8-25(2)9-13-29;1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;1-3-17-6-10-20(11-7-17)22(23)24-21-14-12-19(13-15-21)18-8-4-16(2)5-9-18;1-3-8-4-6-9(7-5-8)10(11)12-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-12,21-28,31-34,41-42H,13-20,29-30H2,1-2H3;3-4,13-22,28-29,32-33,36-37,39-40H,5-12,23-27H2,1-2H3;2*11-18,24-27,32-35H,3-10,19-23H2,1-2H3;24-31H,3-23H2,1-2H3;4-15H,3,16-17H2,1-2H3;4-15H,3H2,1-2H3;4-7H,3H2,1-2H3;32*1H4/b;4-3+,22-21-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t31?,32?,33?,34?,41-,42-;28?,29?,32?,33?,36-,37+,39-,40-;2*24?,25?,26?,27?,32?,33-,34+,35+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1100..................................../s1
InChIKeyYSHTVDHDANHKNQ-CJJWFAEHSA-N
MW4148.49 g/mol
LogP77.40
Rot. Bonds62

About bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate

bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate (PubChem CID 162001802) has the molecular formula C274H438O26 and a molecular weight of 4148.49 g/mol. Its IUPAC name is bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate.

Molecular Properties

Compound Namebis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate
PubChem CID162001802
Molecular FormulaC274H438O26
Molecular Weight4148.49 g/mol
Exact Mass4145.30
IUPAC Namebis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1CCC(CC2CCC(CCCC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(Cc2ccc(/C=C\C(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@@H]4OOC/C=C/c3ccc(CC4CCC(C)CC4)cc3)cc2)CC1.CC1CCC(Cc2ccc(C(=O)O[C@H](c3ccccc3)[C@H](OC(=O)c3ccc(CC4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(Cc2ccc(COO[C@H]3CO[C@@H]4C(OC(=O)c5ccc(CC6CCC(C)CC6)cc5)CO[C@H]34)cc2)CC1.CC1CCC(Cc2ccc(COO[C@H]3CO[C@@H]4C(OC(=O)c5ccc(CC6CCC(C)CC6)cc5)CO[C@H]34)cc2)CC1.CCc1ccc(C(=O)OC)cc1.CCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C44H50O4.C40H52O6.2C36H48O6.C31H56.C23H24.C22H20O2.C10H12O2.32CH4/c1-31-13-17-33(18-14-31)29-35-21-25-39(26-22-35)43(45)47-41(37-9-5-3-6-10-37)42(38-11-7-4-8-12-38)48-44(46)40-27-23-36(24-28-40)30-34-19-15-32(2)16-20-34;1-28-5-9-32(10-6-28)24-34-17-13-30(14-18-34)4-3-23-44-46-37-27-43-39-36(26-42-40(37)39)45-38(41)22-21-31-15-19-35(20-16-31)25-33-11-7-29(2)8-12-33;2*1-24-3-7-26(8-4-24)19-28-11-13-30(14-12-28)21-40-42-33-23-39-34-32(22-38-35(33)34)41-36(37)31-17-15-29(16-18-31)20-27-9-5-25(2)6-10-27;1-24-6-10-28(11-7-24)22-30-18-14-26(15-19-30)4-3-5-27-16-20-31(21-17-27)23-29-12-8-25(2)9-13-29;1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;1-3-17-6-10-20(11-7-17)22(23)24-21-14-12-19(13-15-21)18-8-4-16(2)5-9-18;1-3-8-4-6-9(7-5-8)10(11)12-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-12,21-28,31-34,41-42H,13-20,29-30H2,1-2H3;3-4,13-22,28-29,32-33,36-37,39-40H,5-12,23-27H2,1-2H3;2*11-18,24-27,32-35H,3-10,19-23H2,1-2H3;24-31H,3-23H2,1-2H3;4-15H,3,16-17H2,1-2H3;4-15H,3H2,1-2H3;4-7H,3H2,1-2H3;32*1H4/b;4-3+,22-21-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t31?,32?,33?,34?,41-,42-;28?,29?,32?,33?,36-,37+,39-,40-;2*24?,25?,26?,27?,32?,33-,34+,35+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1100..................................../s1
InChIKeyYSHTVDHDANHKNQ-CJJWFAEHSA-N
XLogP77.40
TPSA294.86 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds62
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004148.49
LogP ≤ 577.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate with MolForge

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Launch Full Analysis

Related Compounds

[(3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate
CID 59824568
[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate
CID 88897827
[(3aR,6S,6aS)-6-[(E)-3-[4-(phosphanylmethyl)phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-(phosphanylmethyl)phenyl]prop-2-enoate;[(1R,2R)-1,2-diphenyl-2-[4-[4-(phosphanylmethyl)cyclohexyl]benzoyl]oxyethyl] 4-[4-(phosphanylmethyl)cyclohexyl]benzoate
CID 91292509
[(3aR,6S,6aS)-6-[(E)-3-(4-methylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-(4-methylphenyl)prop-2-enoate
CID 59642234
[(3aR,6S,6aS)-6-[(E)-3-(4-methylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 58234126
[4-[[6-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonyl]phenyl] 4-methylbenzoate
CID 20645979
[4-[[(3R,3aR,6S,6aR)-3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyl]phenyl] 4-[4-(2-methylbutanoyloxy)butoxy]benzoate
CID 58264564
[4-[[(3S,6R)-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
CID 58251755
[4-(4-ethenylbenzoyl)oxy-2,3-dimethylphenyl] 4-ethenylbenzoate;[4-(4-ethenylbenzoyl)oxy-2-methylphenyl] 4-methylbenzoate;3-[(E)-2-(4-ethenylphenyl)ethenoxy]-6-[(E)-3-(4-ethenylphenyl)prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;formaldehyde;[4-(4-methylcyclohexyl)phenyl] 4-ethenylbenzoate;(4-methylphenyl) (E)-3-(4-ethenylphenyl)prop-2-enoate;(4-methylphenyl) 4-(oxiran-2-ylmethyl)benzoate;[4-[[4-(3-methyl-6-prop-2-enylperoxyhexoxy)phenyl]methylperoxy]phenyl] 4-(3-methyl-6-prop-2-enoyloxyhexoxy)benzoate
CID 160892697
[4-[[(3R,3aR,6S,6aR)-3-[3-(4-phenylphenyl)prop-2-enoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyl]phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 90790102
[6-[(4-methoxyphenyl)methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methoxybenzoate
CID 20610677
[4-[[(3S,3aR,6R,6aR)-3-[3-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]prop-2-enoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
CID 91190279

Frequently Asked Questions

What is the IUPAC name of bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate?
The IUPAC name of bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate (CID 162001802) is bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate.
What is the SMILES notation for bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate?
The canonical SMILES for bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1CCC(CC2CCC(CCCC3CCC(CC4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(Cc2ccc(/C=C\C(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@@H]4OOC/C=C/c3ccc(CC4CCC(C)CC4)cc3)cc2)CC1.CC1CCC(Cc2ccc(C(=O)O[C@H](c3ccccc3)[C@H](OC(=O)c3ccc(CC4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1.CC1CCC(Cc2ccc(COO[C@H]3CO[C@@H]4C(OC(=O)c5ccc(CC6CCC(C)CC6)cc5)CO[C@H]34)cc2)CC1.CC1CCC(Cc2ccc(COO[C@H]3CO[C@@H]4C(OC(=O)c5ccc(CC6CCC(C)CC6)cc5)CO[C@H]34)cc2)CC1.CCc1ccc(C(=O)OC)cc1.CCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate?
The InChIKey is YSHTVDHDANHKNQ-CJJWFAEHSA-N. The full InChI is InChI=1S/C44H50O4.C40H52O6.2C36H48O6.C31H56.C23H24.C22H20O2.C10H12O2.32CH4/c1-31-13-17-33(18-14-31)29-35-21-25-39(26-22-35)43(45)47-41(37-9-5-3-6-10-37)42(38-11-7-4-8-12-38)48-44(46)40-27-23-36(24-28-40)30-34-19-15-32(2)16-20-34;1-28-5-9-32(10-6-28)24-34-17-13-30(14-18-34)4-3-23-44-46-37-27-43-39-36(26-42-40(37)39)45-38(41)22-21-31-15-19-35(20-16-31)25-33-11-7-29(2)8-12-33;2*1-24-3-7-26(8-4-24)19-28-11-13-30(14-12-28)21-40-42-33-23-39-34-32(22-38-35(33)34)41-36(37)31-17-15-29(16-18-31)20-27-9-5-25(2)6-10-27;1-24-6-10-28(11-7-24)22-30-18-14-26(15-19-30)4-3-5-27-16-20-31(21-17-27)23-29-12-8-25(2)9-13-29;1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;1-3-17-6-10-20(11-7-17)22(23)24-21-14-12-19(13-15-21)18-8-4-16(2)5-9-18;1-3-8-4-6-9(7-5-8)10(11)12-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-12,21-28,31-34,41-42H,13-20,29-30H2,1-2H3;3-4,13-22,28-29,32-33,36-37,39-40H,5-12,23-27H2,1-2H3;2*11-18,24-27,32-35H,3-10,19-23H2,1-2H3;24-31H,3-23H2,1-2H3;4-15H,3,16-17H2,1-2H3;4-15H,3H2,1-2H3;4-7H,3H2,1-2H3;32*1H4/b;4-3+,22-21-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t31?,32?,33?,34?,41-,42-;28?,29?,32?,33?,36-,37+,39-,40-;2*24?,25?,26?,27?,32?,33-,34+,35+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1100..................................../s1.
What are the key properties of bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate?
bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate has a molecular weight of 4148.49 g/mol, XLogP of 77.40, 62 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(3aR,6S,6aS)-6-[[4-[(4-methylcyclohexyl)methyl]phenyl]methylperoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(4-methylcyclohexyl)methyl]benzoate);[(3R,3aR,6S,6aS)-6-[(E)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enyl]peroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-3-[4-[(4-methylcyclohexyl)methyl]phenyl]prop-2-enoate;1-[(4-ethylphenyl)methyl]-4-[(4-methylphenyl)methyl]benzene;methane;[(1R,2R)-2-[4-[(4-methylcyclohexyl)methyl]benzoyl]oxy-1,2-diphenylethyl] 4-[(4-methylcyclohexyl)methyl]benzoate;methyl 4-ethylbenzoate;1-methyl-4-[[4-[3-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]propyl]cyclohexyl]methyl]cyclohexane;[4-(4-methylphenyl)phenyl] 4-ethylbenzoate is sourced from PubChem (CID 162001802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).