[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene

C302H378N4O24 — CID 161169748

IUPAC[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene
SMILESCC.CC(C)=C(C)C(=O)OCC1CCC(Cc2ccc(CC3CCC(COC(=O)C(C)=C(C)C)CC3)c(C)c2)CC1.CC(C)=C(C)C(=O)OCc1ccc(Cc2ccc(Cc3ccc(COC(=O)C(C)=C(C)C)cc3)c(C)c2)cc1.CC(C)=C(C)C(=O)c1ccc(CC2CCC(Cc3ccc(CC4CCC(Cc5ccc(C(=O)C(C)=C(C)C)cc5)CC4)c(C)c3)CC2)cc1.CC(C)=C(C)C(=O)c1ccc(Cc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(C(=O)C(C)=C(C)C)cc5)cc4)c(C)c3)cc2)cc1.CC(C)=C(C)OCC1CCC(Cc2ccc(CC3CCC(COC(C)=C(C)C)CC3)c(C)c2)CC1.CC(C)=C(C)OCc1ccc(Cc2ccc(Cc3ccc(COC(C)=C(C)C)cc3)c(C)c2)cc1.CC1=C(C)C(=O)N(CC2CCC(Cc3ccc(CC4CCC(CN5C(=O)C(C)=C(C)C5=O)CC4)c(C)c3)CC2)C1=O.CC1=C(C)C(=O)N(Cc2ccc(Cc3ccc(Cc4ccc(CN5C(=O)C(C)=C(C)C5=O)cc4)c(C)c3)cc2)C1=O
InChIInChI=1S/C47H60O2.C47H48O2.C35H46N2O4.C35H34N2O4.C35H52O4.C35H40O4.C33H52O2.C33H40O2.C2H6/c2*1-31(2)34(6)46(48)43-21-16-39(17-22-43)27-36-8-10-38(11-9-36)29-42-20-25-45(33(5)26-42)30-41-14-12-37(13-15-41)28-40-18-23-44(24-19-40)47(49)35(7)32(3)4;2*1-21-16-30(17-26-6-10-28(11-7-26)19-36-32(38)22(2)23(3)33(36)39)14-15-31(21)18-27-8-12-29(13-9-27)20-37-34(40)24(4)25(5)35(37)41;2*1-23(2)26(6)34(36)38-21-30-12-8-28(9-13-30)19-32-16-17-33(25(5)18-32)20-29-10-14-31(15-11-29)22-39-35(37)27(7)24(3)4;2*1-23(2)26(6)34-21-30-12-8-28(9-13-30)19-32-16-17-33(25(5)18-32)20-29-10-14-31(15-11-29)22-35-27(7)24(3)4;1-2/h16-26,36-38,41H,8-15,27-30H2,1-7H3;8-26H,27-30H2,1-7H3;14-16,26-29H,6-13,17-20H2,1-5H3;6-16H,17-20H2,1-5H3;16-18,28-31H,8-15,19-22H2,1-7H3;8-18H,19-22H2,1-7H3;16-18,28-31H,8-15,19-22H2,1-7H3;8-18H,19-22H2,1-7H3;1-2H3
InChIKeyURAGQVCDFAUMPT-UHFFFAOYSA-N
MW4448.35 g/mol
LogP71.07
Rot. Bonds80

About [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene

[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene (PubChem CID 161169748) has the molecular formula C302H378N4O24 and a molecular weight of 4448.35 g/mol. Its IUPAC name is [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene
PubChem CID161169748
Molecular FormulaC302H378N4O24
Molecular Weight4448.35 g/mol
Exact Mass4444.85
IUPAC Name[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene
SMILESCC.CC(C)=C(C)C(=O)OCC1CCC(Cc2ccc(CC3CCC(COC(=O)C(C)=C(C)C)CC3)c(C)c2)CC1.CC(C)=C(C)C(=O)OCc1ccc(Cc2ccc(Cc3ccc(COC(=O)C(C)=C(C)C)cc3)c(C)c2)cc1.CC(C)=C(C)C(=O)c1ccc(CC2CCC(Cc3ccc(CC4CCC(Cc5ccc(C(=O)C(C)=C(C)C)cc5)CC4)c(C)c3)CC2)cc1.CC(C)=C(C)C(=O)c1ccc(Cc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(C(=O)C(C)=C(C)C)cc5)cc4)c(C)c3)cc2)cc1.CC(C)=C(C)OCC1CCC(Cc2ccc(CC3CCC(COC(C)=C(C)C)CC3)c(C)c2)CC1.CC(C)=C(C)OCc1ccc(Cc2ccc(Cc3ccc(COC(C)=C(C)C)cc3)c(C)c2)cc1.CC1=C(C)C(=O)N(CC2CCC(Cc3ccc(CC4CCC(CN5C(=O)C(C)=C(C)C5=O)CC4)c(C)c3)CC2)C1=O.CC1=C(C)C(=O)N(Cc2ccc(Cc3ccc(Cc4ccc(CN5C(=O)C(C)=C(C)C5=O)cc4)c(C)c3)cc2)C1=O
InChIInChI=1S/C47H60O2.C47H48O2.C35H46N2O4.C35H34N2O4.C35H52O4.C35H40O4.C33H52O2.C33H40O2.C2H6/c2*1-31(2)34(6)46(48)43-21-16-39(17-22-43)27-36-8-10-38(11-9-36)29-42-20-25-45(33(5)26-42)30-41-14-12-37(13-15-41)28-40-18-23-44(24-19-40)47(49)35(7)32(3)4;2*1-21-16-30(17-26-6-10-28(11-7-26)19-36-32(38)22(2)23(3)33(36)39)14-15-31(21)18-27-8-12-29(13-9-27)20-37-34(40)24(4)25(5)35(37)41;2*1-23(2)26(6)34(36)38-21-30-12-8-28(9-13-30)19-32-16-17-33(25(5)18-32)20-29-10-14-31(15-11-29)22-39-35(37)27(7)24(3)4;2*1-23(2)26(6)34-21-30-12-8-28(9-13-30)19-32-16-17-33(25(5)18-32)20-29-10-14-31(15-11-29)22-35-27(7)24(3)4;1-2/h16-26,36-38,41H,8-15,27-30H2,1-7H3;8-26H,27-30H2,1-7H3;14-16,26-29H,6-13,17-20H2,1-5H3;6-16H,17-20H2,1-5H3;16-18,28-31H,8-15,19-22H2,1-7H3;8-18H,19-22H2,1-7H3;16-18,28-31H,8-15,19-22H2,1-7H3;8-18H,19-22H2,1-7H3;1-2H3
InChIKeyURAGQVCDFAUMPT-UHFFFAOYSA-N
XLogP71.07
TPSA359.92 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds80
Heavy Atoms330
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004448.35
LogP ≤ 571.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene?
The IUPAC name of [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene (CID 161169748) is [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene.
What is the SMILES notation for [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene?
The canonical SMILES for [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene is CC.CC(C)=C(C)C(=O)OCC1CCC(Cc2ccc(CC3CCC(COC(=O)C(C)=C(C)C)CC3)c(C)c2)CC1.CC(C)=C(C)C(=O)OCc1ccc(Cc2ccc(Cc3ccc(COC(=O)C(C)=C(C)C)cc3)c(C)c2)cc1.CC(C)=C(C)C(=O)c1ccc(CC2CCC(Cc3ccc(CC4CCC(Cc5ccc(C(=O)C(C)=C(C)C)cc5)CC4)c(C)c3)CC2)cc1.CC(C)=C(C)C(=O)c1ccc(Cc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(C(=O)C(C)=C(C)C)cc5)cc4)c(C)c3)cc2)cc1.CC(C)=C(C)OCC1CCC(Cc2ccc(CC3CCC(COC(C)=C(C)C)CC3)c(C)c2)CC1.CC(C)=C(C)OCc1ccc(Cc2ccc(Cc3ccc(COC(C)=C(C)C)cc3)c(C)c2)cc1.CC1=C(C)C(=O)N(CC2CCC(Cc3ccc(CC4CCC(CN5C(=O)C(C)=C(C)C5=O)CC4)c(C)c3)CC2)C1=O.CC1=C(C)C(=O)N(Cc2ccc(Cc3ccc(Cc4ccc(CN5C(=O)C(C)=C(C)C5=O)cc4)c(C)c3)cc2)C1=O.
What is the InChIKey of [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene?
The InChIKey is URAGQVCDFAUMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60O2.C47H48O2.C35H46N2O4.C35H34N2O4.C35H52O4.C35H40O4.C33H52O2.C33H40O2.C2H6/c2*1-31(2)34(6)46(48)43-21-16-39(17-22-43)27-36-8-10-38(11-9-36)29-42-20-25-45(33(5)26-42)30-41-14-12-37(13-15-41)28-40-18-23-44(24-19-40)47(49)35(7)32(3)4;2*1-21-16-30(17-26-6-10-28(11-7-26)19-36-32(38)22(2)23(3)33(36)39)14-15-31(21)18-27-8-12-29(13-9-27)20-37-34(40)24(4)25(5)35(37)41;2*1-23(2)26(6)34(36)38-21-30-12-8-28(9-13-30)19-32-16-17-33(25(5)18-32)20-29-10-14-31(15-11-29)22-39-35(37)27(7)24(3)4;2*1-23(2)26(6)34-21-30-12-8-28(9-13-30)19-32-16-17-33(25(5)18-32)20-29-10-14-31(15-11-29)22-35-27(7)24(3)4;1-2/h16-26,36-38,41H,8-15,27-30H2,1-7H3;8-26H,27-30H2,1-7H3;14-16,26-29H,6-13,17-20H2,1-5H3;6-16H,17-20H2,1-5H3;16-18,28-31H,8-15,19-22H2,1-7H3;8-18H,19-22H2,1-7H3;16-18,28-31H,8-15,19-22H2,1-7H3;8-18H,19-22H2,1-7H3;1-2H3.
What are the key properties of [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene?
[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene has a molecular weight of 4448.35 g/mol, XLogP of 71.07, 80 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl 2,3-dimethylbut-2-enoate;[4-[[4-[[4-(2,3-dimethylbut-2-enoyloxymethyl)phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl 2,3-dimethylbut-2-enoate;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[4-[[4-[[4-[[4-[[4-(2,3-dimethylbut-2-enoyl)phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]phenyl]-2,3-dimethylbut-2-en-1-one;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]-3-methylphenyl]methyl]cyclohexyl]methyl]-3,4-dimethylpyrrole-2,5-dione;1-[[4-[[4-[[4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]phenyl]methyl]-3-methylphenyl]methyl]phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione;ethane;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)cyclohexyl]methyl]benzene;2-methyl-1,4-bis[[4-(3-methylbut-2-en-2-yloxymethyl)phenyl]methyl]benzene is sourced from PubChem (CID 161169748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).