[6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate

C154H144O54 — CID 161060428

IUPAC[6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate
SMILESC=CC(=O)OCOc1c(OC)cc(/C=C/C(=O)OC2COC3C(OC(=O)/C=C/c4cc(OC)c(OCOC(=O)C=C)c(OC)c4)COC23)cc1OC.C=CC(=O)OCOc1ccc(-c2ccc(/C=C/C(=O)OC3COC4C(OC(=O)/C=C/c5ccc(-c6ccc(OCOC(=O)C=C)cc6)cc5)COC34)cc2)cc1.C=CC(=O)OCOc1ccc(/C=C/C(=O)OC2COC3C(OC(=O)/C=C/c4ccc(OCOC(=O)C=C)c(OC)c4)COC23)cc1OC.C=CC(=O)OCOc1ccc2cc(/C=C/C(=O)OC3COC4C(OC(=O)/C=C/c5ccc6cc(OCOC(=O)C=C)ccc6c5)COC34)ccc2c1
InChIInChI=1S/C44H38O12.C40H34O12.C36H38O16.C34H34O14/c1-3-39(45)53-27-51-35-19-15-33(16-20-35)31-11-5-29(6-12-31)9-23-41(47)55-37-25-49-44-38(26-50-43(37)44)56-42(48)24-10-30-7-13-32(14-8-30)34-17-21-36(22-18-34)52-28-54-40(46)4-2;1-3-35(41)49-23-47-31-13-11-27-17-25(5-9-29(27)19-31)7-15-37(43)51-33-21-45-40-34(22-46-39(33)40)52-38(44)16-8-26-6-10-30-20-32(14-12-28(30)18-26)48-24-50-36(42)4-2;1-7-29(37)47-19-49-33-23(41-3)13-21(14-24(33)42-4)9-11-31(39)51-27-17-45-36-28(18-46-35(27)36)52-32(40)12-10-22-15-25(43-5)34(26(16-22)44-6)50-20-48-30(38)8-2;1-5-29(35)45-19-43-23-11-7-21(15-25(23)39-3)9-13-31(37)47-27-17-41-34-28(18-42-33(27)34)48-32(38)14-10-22-8-12-24(26(16-22)40-4)44-20-46-30(36)6-2/h3-24,37-38,43-44H,1-2,25-28H2;3-20,33-34,39-40H,1-2,21-24H2;7-16,27-28,35-36H,1-2,17-20H2,3-6H3;5-16,27-28,33-34H,1-2,17-20H2,3-4H3/b23-9+,24-10+;15-7+,16-8+;11-9+,12-10+;13-9+,14-10+
InChIKeyUDHZHHQKIKIYPW-AZOLGPCSSA-N
MW2858.79 g/mol
LogP18.35
Rot. Bonds64

About [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate

[6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate (PubChem CID 161060428) has the molecular formula C154H144O54 and a molecular weight of 2858.79 g/mol. Its IUPAC name is [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Name[6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate
PubChem CID161060428
Molecular FormulaC154H144O54
Molecular Weight2858.79 g/mol
Exact Mass2856.85
IUPAC Name[6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate
SMILESC=CC(=O)OCOc1c(OC)cc(/C=C/C(=O)OC2COC3C(OC(=O)/C=C/c4cc(OC)c(OCOC(=O)C=C)c(OC)c4)COC23)cc1OC.C=CC(=O)OCOc1ccc(-c2ccc(/C=C/C(=O)OC3COC4C(OC(=O)/C=C/c5ccc(-c6ccc(OCOC(=O)C=C)cc6)cc5)COC34)cc2)cc1.C=CC(=O)OCOc1ccc(/C=C/C(=O)OC2COC3C(OC(=O)/C=C/c4ccc(OCOC(=O)C=C)c(OC)c4)COC23)cc1OC.C=CC(=O)OCOc1ccc2cc(/C=C/C(=O)OC3COC4C(OC(=O)/C=C/c5ccc6cc(OCOC(=O)C=C)ccc6c5)COC34)ccc2c1
InChIInChI=1S/C44H38O12.C40H34O12.C36H38O16.C34H34O14/c1-3-39(45)53-27-51-35-19-15-33(16-20-35)31-11-5-29(6-12-31)9-23-41(47)55-37-25-49-44-38(26-50-43(37)44)56-42(48)24-10-30-7-13-32(14-8-30)34-17-21-36(22-18-34)52-28-54-40(46)4-2;1-3-35(41)49-23-47-31-13-11-27-17-25(5-9-29(27)19-31)7-15-37(43)51-33-21-45-40-34(22-46-39(33)40)52-38(44)16-8-26-6-10-30-20-32(14-12-28(30)18-26)48-24-50-36(42)4-2;1-7-29(37)47-19-49-33-23(41-3)13-21(14-24(33)42-4)9-11-31(39)51-27-17-45-36-28(18-46-35(27)36)52-32(40)12-10-22-15-25(43-5)34(26(16-22)44-6)50-20-48-30(38)8-2;1-5-29(35)45-19-43-23-11-7-21(15-25(23)39-3)9-13-31(37)47-27-17-41-34-28(18-42-33(27)34)48-32(38)14-10-22-8-12-24(26(16-22)40-4)44-20-46-30(36)6-2/h3-24,37-38,43-44H,1-2,25-28H2;3-20,33-34,39-40H,1-2,21-24H2;7-16,27-28,35-36H,1-2,17-20H2,3-6H3;5-16,27-28,33-34H,1-2,17-20H2,3-4H3/b23-9+,24-10+;15-7+,16-8+;11-9+,12-10+;13-9+,14-10+
InChIKeyUDHZHHQKIKIYPW-AZOLGPCSSA-N
XLogP18.35
TPSA623.86 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds64
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002858.79
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate with MolForge

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Related Compounds

[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate
CID 59583954
[6-[3-(4-methoxyphenyl)prop-2-enoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate
CID 76745950
[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
[6-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-2-[4-(prop-2-enoyloxymethoxy)phenyl]ethenyl]benzoate
CID 59583961
[(3R,3aR,6R,6aR)-6-[3-(4-methylphenyl)prop-2-enoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 3-(4-methylphenyl)prop-2-enoate
CID 59076001
[(3S,3aR,6R,6aR)-6-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 174114735
[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
[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
methyl (E)-3-[3-methoxy-4-[6-[4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]ethynyl]phenoxy]hexoxy]phenyl]prop-2-enoate
CID 20730935
[(3aR,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 174261069
[(3S,3aR,6R,6aR)-6-[4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]benzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[(E)-3-(4-methoxyphenoxy)-3-oxoprop-1-enyl]benzoate
CID 122417117
[3-(difluoromethyl)-4-[(E)-3-[4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate
CID 21036056

Frequently Asked Questions

What is the IUPAC name of [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate?
The IUPAC name of [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate (CID 161060428) is [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate.
What is the SMILES notation for [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate?
The canonical SMILES for [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate is C=CC(=O)OCOc1c(OC)cc(/C=C/C(=O)OC2COC3C(OC(=O)/C=C/c4cc(OC)c(OCOC(=O)C=C)c(OC)c4)COC23)cc1OC.C=CC(=O)OCOc1ccc(-c2ccc(/C=C/C(=O)OC3COC4C(OC(=O)/C=C/c5ccc(-c6ccc(OCOC(=O)C=C)cc6)cc5)COC34)cc2)cc1.C=CC(=O)OCOc1ccc(/C=C/C(=O)OC2COC3C(OC(=O)/C=C/c4ccc(OCOC(=O)C=C)c(OC)c4)COC23)cc1OC.C=CC(=O)OCOc1ccc2cc(/C=C/C(=O)OC3COC4C(OC(=O)/C=C/c5ccc6cc(OCOC(=O)C=C)ccc6c5)COC34)ccc2c1.
What is the InChIKey of [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate?
The InChIKey is UDHZHHQKIKIYPW-AZOLGPCSSA-N. The full InChI is InChI=1S/C44H38O12.C40H34O12.C36H38O16.C34H34O14/c1-3-39(45)53-27-51-35-19-15-33(16-20-35)31-11-5-29(6-12-31)9-23-41(47)55-37-25-49-44-38(26-50-43(37)44)56-42(48)24-10-30-7-13-32(14-8-30)34-17-21-36(22-18-34)52-28-54-40(46)4-2;1-3-35(41)49-23-47-31-13-11-27-17-25(5-9-29(27)19-31)7-15-37(43)51-33-21-45-40-34(22-46-39(33)40)52-38(44)16-8-26-6-10-30-20-32(14-12-28(30)18-26)48-24-50-36(42)4-2;1-7-29(37)47-19-49-33-23(41-3)13-21(14-24(33)42-4)9-11-31(39)51-27-17-45-36-28(18-46-35(27)36)52-32(40)12-10-22-15-25(43-5)34(26(16-22)44-6)50-20-48-30(38)8-2;1-5-29(35)45-19-43-23-11-7-21(15-25(23)39-3)9-13-31(37)47-27-17-41-34-28(18-42-33(27)34)48-32(38)14-10-22-8-12-24(26(16-22)40-4)44-20-46-30(36)6-2/h3-24,37-38,43-44H,1-2,25-28H2;3-20,33-34,39-40H,1-2,21-24H2;7-16,27-28,35-36H,1-2,17-20H2,3-6H3;5-16,27-28,33-34H,1-2,17-20H2,3-4H3/b23-9+,24-10+;15-7+,16-8+;11-9+,12-10+;13-9+,14-10+.
What are the key properties of [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate?
[6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate has a molecular weight of 2858.79 g/mol, XLogP of 18.35, 64 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3,5-dimethoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[3-methoxy-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[6-[(E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]prop-2-enoate;[6-[(E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (E)-3-[4-[4-(prop-2-enoyloxymethoxy)phenyl]phenyl]prop-2-enoate is sourced from PubChem (CID 161060428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).