[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane

C176H232F12O30 — CID 161279927

IUPAC[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
SMILESC=C(C)C(=O)OCc1ccc(OC(F)(F)C2CCC(C3CCC(COC(=O)C(=C)C)CC3)CC2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C(=C)C)CC2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(COC(=O)C(=C)C)CC3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C=C)CC2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(COC(=O)C=C)CC3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C29H38F2O5.C29H32F2O5.C27H28F2O5.C27H22F2O5.C23H28F2O5.C21H24F2O5.10C2H6/c2*1-19(2)27(32)34-17-21-5-9-23(10-6-21)24-11-13-25(14-12-24)29(30,31)36-26-15-7-22(8-16-26)18-35-28(33)20(3)4;2*1-3-25(30)32-17-19-5-9-21(10-6-19)22-11-13-23(14-12-22)27(28,29)34-24-15-7-20(8-16-24)18-33-26(31)4-2;1-15(2)21(26)28-13-17-5-9-19(10-6-17)23(24,25)30-20-11-7-18(8-12-20)14-29-22(27)16(3)4;1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2;10*1-2/h7-8,15-16,21,23-25H,1,3,5-6,9-14,17-18H2,2,4H3;7-8,11-16,21,23H,1,3,5-6,9-10,17-18H2,2,4H3;3-4,7-8,11-16,19,21H,1-2,5-6,9-10,17-18H2;3-16H,1-2,17-18H2;7-8,11-12,17,19H,1,3,5-6,9-10,13-14H2,2,4H3;3-4,7-8,11-12,15,17H,1-2,5-6,9-10,13-14H2;10*1-2H3
InChIKeyVEYGKIRPYZPCHI-UHFFFAOYSA-N
MW3055.74 g/mol
LogP45.71
Rot. Bonds58

About [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane

[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane (PubChem CID 161279927) has the molecular formula C176H232F12O30 and a molecular weight of 3055.74 g/mol. Its IUPAC name is [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane.

Molecular Properties

Compound Name[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
PubChem CID161279927
Molecular FormulaC176H232F12O30
Molecular Weight3055.74 g/mol
Exact Mass3053.64
IUPAC Name[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
SMILESC=C(C)C(=O)OCc1ccc(OC(F)(F)C2CCC(C3CCC(COC(=O)C(=C)C)CC3)CC2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C(=C)C)CC2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(COC(=O)C(=C)C)CC3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C=C)CC2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(COC(=O)C=C)CC3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C29H38F2O5.C29H32F2O5.C27H28F2O5.C27H22F2O5.C23H28F2O5.C21H24F2O5.10C2H6/c2*1-19(2)27(32)34-17-21-5-9-23(10-6-21)24-11-13-25(14-12-24)29(30,31)36-26-15-7-22(8-16-26)18-35-28(33)20(3)4;2*1-3-25(30)32-17-19-5-9-21(10-6-19)22-11-13-23(14-12-22)27(28,29)34-24-15-7-20(8-16-24)18-33-26(31)4-2;1-15(2)21(26)28-13-17-5-9-19(10-6-17)23(24,25)30-20-11-7-18(8-12-20)14-29-22(27)16(3)4;1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2;10*1-2/h7-8,15-16,21,23-25H,1,3,5-6,9-14,17-18H2,2,4H3;7-8,11-16,21,23H,1,3,5-6,9-10,17-18H2,2,4H3;3-4,7-8,11-16,19,21H,1-2,5-6,9-10,17-18H2;3-16H,1-2,17-18H2;7-8,11-12,17,19H,1,3,5-6,9-10,13-14H2,2,4H3;3-4,7-8,11-12,15,17H,1-2,5-6,9-10,13-14H2;10*1-2H3
InChIKeyVEYGKIRPYZPCHI-UHFFFAOYSA-N
XLogP45.71
TPSA370.98 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds58
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003055.74
LogP ≤ 545.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane with MolForge

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Related Compounds

[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane;bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl 2-methylprop-2-enoate);bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl prop-2-enoate);bis(2-methylprop-2-enoic acid);bis(prop-2-enoic acid)
CID 159940128
[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
CID 159800405
[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane
CID 160563571
[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-[4-(prop-2-enoyloxymethyl)cyclohexyl]cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl prop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[6-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]naphthalen-2-yl]methyl 2-methylprop-2-enoate;ethane
CID 160861224
[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate
CID 89283429
[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate
CID 126680865
[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[6-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]naphthalen-2-yl]methyl 2-methylprop-2-enoate;ethane
CID 158138612
[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]methyl 2-methylprop-2-enoate
CID 89424130
[4-[[6-[difluoro-[4-(prop-2-enoyloxymethyl)phenyl]methoxy]naphthalen-2-yl]oxy-difluoromethyl]phenyl]methyl prop-2-enoate;ethane
CID 123420618
[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate
CID 118458159
cyclopentane;[4-[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethyl)phenyl] cyclopentanecarboxylate
CID 91610995
methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate
CID 162209413

Frequently Asked Questions

What is the IUPAC name of [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane?
The IUPAC name of [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane (CID 161279927) is [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane.
What is the SMILES notation for [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane?
The canonical SMILES for [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane is C=C(C)C(=O)OCc1ccc(OC(F)(F)C2CCC(C3CCC(COC(=O)C(=C)C)CC3)CC2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C(=C)C)CC2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(COC(=O)C(=C)C)CC3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C=C)CC2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(COC(=O)C=C)CC3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane?
The InChIKey is VEYGKIRPYZPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F2O5.C29H32F2O5.C27H28F2O5.C27H22F2O5.C23H28F2O5.C21H24F2O5.10C2H6/c2*1-19(2)27(32)34-17-21-5-9-23(10-6-21)24-11-13-25(14-12-24)29(30,31)36-26-15-7-22(8-16-26)18-35-28(33)20(3)4;2*1-3-25(30)32-17-19-5-9-21(10-6-19)22-11-13-23(14-12-22)27(28,29)34-24-15-7-20(8-16-24)18-33-26(31)4-2;1-15(2)21(26)28-13-17-5-9-19(10-6-17)23(24,25)30-20-11-7-18(8-12-20)14-29-22(27)16(3)4;1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2;10*1-2/h7-8,15-16,21,23-25H,1,3,5-6,9-14,17-18H2,2,4H3;7-8,11-16,21,23H,1,3,5-6,9-10,17-18H2,2,4H3;3-4,7-8,11-16,19,21H,1-2,5-6,9-10,17-18H2;3-16H,1-2,17-18H2;7-8,11-12,17,19H,1,3,5-6,9-10,13-14H2,2,4H3;3-4,7-8,11-12,15,17H,1-2,5-6,9-10,13-14H2;10*1-2H3.
What are the key properties of [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane?
[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane has a molecular weight of 3055.74 g/mol, XLogP of 45.71, 58 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane is sourced from PubChem (CID 161279927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).