[3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate

C217H270O68 — CID 158638343

IUPAC[3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate
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(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C(=C)C)cc3)c(C)c2)cc1.C=C(C)C(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C(C)(C)C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C(C)C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)cc2)cc1
InChIInChI=1S/C34H34O10.C33H28O14.C33H32O10.C32H26O14.C31H28O10.C30H26O10.24CH4/c1-21(2)30(35)41-19-39-25-12-8-23(9-13-25)32(37)43-27-16-17-29(28(18-27)34(5,6)7)44-33(38)24-10-14-26(15-11-24)40-20-42-31(36)22(3)4;1-19(2)28(34)40-17-42-32(38)45-24-10-6-22(7-11-24)30(36)44-26-14-15-27(21(5)16-26)47-31(37)23-8-12-25(13-9-23)46-33(39)43-18-41-29(35)20(3)4;1-20(2)28-17-27(42-32(36)23-7-11-25(12-8-23)38-18-40-30(34)21(3)4)15-16-29(28)43-33(37)24-9-13-26(14-10-24)39-19-41-31(35)22(5)6;1-19(2)27(33)39-17-41-31(37)45-25-9-5-21(6-10-25)29(35)43-23-13-15-24(16-14-23)44-30(36)22-7-11-26(12-8-22)46-32(38)42-18-40-28(34)20(3)4;1-19(2)28(32)38-17-36-24-10-6-22(7-11-24)30(34)40-26-14-15-27(21(5)16-26)41-31(35)23-8-12-25(13-9-23)37-18-39-29(33)20(3)4;1-19(2)27(31)37-17-35-23-9-5-21(6-10-23)29(33)39-25-13-15-26(16-14-25)40-30(34)22-7-11-24(12-8-22)36-18-38-28(32)20(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h8-18H,1,3,19-20H2,2,4-7H3;6-16H,1,3,17-18H2,2,4-5H3;7-17,20H,3,5,18-19H2,1-2,4,6H3;5-16H,1,3,17-18H2,2,4H3;6-16H,1,3,17-18H2,2,4-5H3;5-16H,1,3,17-18H2,2,4H3;24*1H4
InChIKeyIABACIVMFHKVMW-UHFFFAOYSA-N
MW3966.48 g/mol
LogP49.07
Rot. Bonds73

About [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate

[3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate (PubChem CID 158638343) has the molecular formula C217H270O68 and a molecular weight of 3966.48 g/mol. Its IUPAC name is [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate.

Molecular Properties

Compound Name[3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate
PubChem CID158638343
Molecular FormulaC217H270O68
Molecular Weight3966.48 g/mol
Exact Mass3963.77
IUPAC Name[3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate
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(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C(=C)C)cc3)c(C)c2)cc1.C=C(C)C(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C(C)(C)C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C(C)C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)cc2)cc1
InChIInChI=1S/C34H34O10.C33H28O14.C33H32O10.C32H26O14.C31H28O10.C30H26O10.24CH4/c1-21(2)30(35)41-19-39-25-12-8-23(9-13-25)32(37)43-27-16-17-29(28(18-27)34(5,6)7)44-33(38)24-10-14-26(15-11-24)40-20-42-31(36)22(3)4;1-19(2)28(34)40-17-42-32(38)45-24-10-6-22(7-11-24)30(36)44-26-14-15-27(21(5)16-26)47-31(37)23-8-12-25(13-9-23)46-33(39)43-18-41-29(35)20(3)4;1-20(2)28-17-27(42-32(36)23-7-11-25(12-8-23)38-18-40-30(34)21(3)4)15-16-29(28)43-33(37)24-9-13-26(14-10-24)39-19-41-31(35)22(5)6;1-19(2)27(33)39-17-41-31(37)45-25-9-5-21(6-10-25)29(35)43-23-13-15-24(16-14-23)44-30(36)22-7-11-26(12-8-22)46-32(38)42-18-40-28(34)20(3)4;1-19(2)28(32)38-17-36-24-10-6-22(7-11-24)30(34)40-26-14-15-27(21(5)16-26)41-31(35)23-8-12-25(13-9-23)37-18-39-29(33)20(3)4;1-19(2)27(31)37-17-35-23-9-5-21(6-10-23)29(33)39-25-13-15-26(16-14-25)40-30(34)22-7-11-24(12-8-22)36-18-38-28(32)20(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h8-18H,1,3,19-20H2,2,4-7H3;6-16H,1,3,17-18H2,2,4-5H3;7-17,20H,3,5,18-19H2,1-2,4,6H3;5-16H,1,3,17-18H2,2,4H3;6-16H,1,3,17-18H2,2,4-5H3;5-16H,1,3,17-18H2,2,4H3;24*1H4
InChIKeyIABACIVMFHKVMW-UHFFFAOYSA-N
XLogP49.07
TPSA847.16 Ų
H-Bond Donors
H-Bond Acceptors68
Rotatable Bonds73
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003966.48
LogP ≤ 549.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1068

Analyze [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate with MolForge

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Related Compounds

[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 59360251
(3,4-dimethylphenyl) 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 59360237
[4-[[4-(2-methylprop-2-enoyloxymethoxy)phenoxy]methoxy]-3-(trifluoromethyl)phenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 21036119
[3-tert-butyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;hexyl 2,5-bis[[4-(prop-2-enoyloxymethoxy)benzoyl]oxy]benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate;[3-methyl-4-[(E)-3-[4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;pentyl 2,5-bis[[4-(prop-2-enoyloxymethoxy)benzoyl]oxy]benzoate
CID 161219722
[3-methyl-4-[4-(2-methylbutanoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylbutanoyloxymethoxy)benzoate
CID 174110547
[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 4-(2-methylprop-2-enoyloxymethyl)benzoate
CID 22976565
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[3-methyl-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 161234150
[7-[2-fluoro-4-(prop-2-enoyloxymethoxy)benzoyl]oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-(2-fluoroprop-2-enoyloxymethoxy)benzoyl]oxy-3-methylphenyl] 4-(2-fluoroprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[9-methyl-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxycarbonyloxy)benzoate
CID 157323542
[4-[(4-hexoxyphenoxy)methoxy]-2-methylphenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate
CID 170546232
2-[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl]ethyl 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 130417195
[3-tert-butyl-4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;ethane
CID 91445499
[3-methyl-4-[(E)-3-[4-[3-(2-methylprop-2-enoyloxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxy)benzoate
CID 129281761

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate?
The IUPAC name of [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate (CID 158638343) is [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate.
What is the SMILES notation for [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate?
The canonical SMILES for [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate 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(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C(=C)C)cc3)c(C)c2)cc1.C=C(C)C(=O)OCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCOC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C(C)(C)C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C(C)C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)c(C)c2)cc1.C=C(C)C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)cc2)cc1.
What is the InChIKey of [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate?
The InChIKey is IABACIVMFHKVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O10.C33H28O14.C33H32O10.C32H26O14.C31H28O10.C30H26O10.24CH4/c1-21(2)30(35)41-19-39-25-12-8-23(9-13-25)32(37)43-27-16-17-29(28(18-27)34(5,6)7)44-33(38)24-10-14-26(15-11-24)40-20-42-31(36)22(3)4;1-19(2)28(34)40-17-42-32(38)45-24-10-6-22(7-11-24)30(36)44-26-14-15-27(21(5)16-26)47-31(37)23-8-12-25(13-9-23)46-33(39)43-18-41-29(35)20(3)4;1-20(2)28-17-27(42-32(36)23-7-11-25(12-8-23)38-18-40-30(34)21(3)4)15-16-29(28)43-33(37)24-9-13-26(14-10-24)39-19-41-31(35)22(5)6;1-19(2)27(33)39-17-41-31(37)45-25-9-5-21(6-10-25)29(35)43-23-13-15-24(16-14-23)44-30(36)22-7-11-26(12-8-22)46-32(38)42-18-40-28(34)20(3)4;1-19(2)28(32)38-17-36-24-10-6-22(7-11-24)30(34)40-26-14-15-27(21(5)16-26)41-31(35)23-8-12-25(13-9-23)37-18-39-29(33)20(3)4;1-19(2)27(31)37-17-35-23-9-5-21(6-10-23)29(33)39-25-13-15-26(16-14-25)40-30(34)22-7-11-24(12-8-22)36-18-38-28(32)20(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h8-18H,1,3,19-20H2,2,4-7H3;6-16H,1,3,17-18H2,2,4-5H3;7-17,20H,3,5,18-19H2,1-2,4,6H3;5-16H,1,3,17-18H2,2,4H3;6-16H,1,3,17-18H2,2,4-5H3;5-16H,1,3,17-18H2,2,4H3;24*1H4.
What are the key properties of [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate?
[3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate has a molecular weight of 3966.48 g/mol, XLogP of 49.07, 73 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)benzoyl]oxy-3-propan-2-ylphenyl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate;[4-[4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoyl]oxyphenyl] 4-(2-methylprop-2-enoyloxymethoxycarbonyloxy)benzoate is sourced from PubChem (CID 158638343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).