3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol

C148H185F43O33 — CID 157485131

IUPAC3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol
SMILESC=C(C)c1c(C(C)(C)OC2(C)COC(C)(O)C2(F)F)c(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)c1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1cc(C(C)(C)OC2(C)COC(C)(O)C2)cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)c1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)ccc1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1ccc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2)cc1.C=C(C)c1cccc2c(C(C)(C)OC3(C)COC(O)(C(F)(F)F)C3)cccc12
InChIInChI=1S/C45H57F17O12.C36H48F10O9.C27H32F10O6.C22H25F3O3.C18H23F3O3/c1-21(2)24-25(29(7,8)73-31(11)17-67-35(15,63)36(31,46)47)22(27(3,4)71-32(12)18-68-40(64,37(32,48)49)43(54,55)56)16-23(28(5,6)72-33(13)19-69-41(65,38(33,50)51)44(57,58)59)26(24)30(9,10)74-34(14)20-70-42(66,39(34,52)53)45(60,61)62;1-19(2)21-13-20(24(3,4)53-27(9)15-30(12,47)50-16-27)14-22(25(5,6)54-28(10)17-51-33(48,31(28,37)38)35(41,42)43)23(21)26(7,8)55-29(11)18-52-34(49,32(29,39)40)36(44,45)46;1-14(2)16-11-15(18(3,4)42-20(7)12-40-24(38,22(20,28)29)26(32,33)34)9-10-17(16)19(5,6)43-21(8)13-41-25(39,23(21,30)31)27(35,36)37;1-14(2)15-8-6-10-17-16(15)9-7-11-18(17)19(3,4)28-20(5)12-21(26,27-13-20)22(23,24)25;1-12(2)13-6-8-14(9-7-13)15(3,4)24-16(5)10-17(22,23-11-16)18(19,20)21/h16,63-66H,1,17-20H2,2-15H3;13-14,47-49H,1,15-18H2,2-12H3;9-11,38-39H,1,12-13H2,2-8H3;6-11,26H,1,12-13H2,2-5H3;6-9,22H,1,10-11H2,2-5H3
InChIKeyBWPVUIIOSPJDIS-UHFFFAOYSA-N
MW3308.99 g/mol
LogP34.13
Rot. Bonds38

About 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol

3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol (PubChem CID 157485131) has the molecular formula C148H185F43O33 and a molecular weight of 3308.99 g/mol. Its IUPAC name is 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol
PubChem CID157485131
Molecular FormulaC148H185F43O33
Molecular Weight3308.99 g/mol
Exact Mass3307.21
IUPAC Name3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol
SMILESC=C(C)c1c(C(C)(C)OC2(C)COC(C)(O)C2(F)F)c(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)c1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1cc(C(C)(C)OC2(C)COC(C)(O)C2)cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)c1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)ccc1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1ccc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2)cc1.C=C(C)c1cccc2c(C(C)(C)OC3(C)COC(O)(C(F)(F)F)C3)cccc12
InChIInChI=1S/C45H57F17O12.C36H48F10O9.C27H32F10O6.C22H25F3O3.C18H23F3O3/c1-21(2)24-25(29(7,8)73-31(11)17-67-35(15,63)36(31,46)47)22(27(3,4)71-32(12)18-68-40(64,37(32,48)49)43(54,55)56)16-23(28(5,6)72-33(13)19-69-41(65,38(33,50)51)44(57,58)59)26(24)30(9,10)74-34(14)20-70-42(66,39(34,52)53)45(60,61)62;1-19(2)21-13-20(24(3,4)53-27(9)15-30(12,47)50-16-27)14-22(25(5,6)54-28(10)17-51-33(48,31(28,37)38)35(41,42)43)23(21)26(7,8)55-29(11)18-52-34(49,32(29,39)40)36(44,45)46;1-14(2)16-11-15(18(3,4)42-20(7)12-40-24(38,22(20,28)29)26(32,33)34)9-10-17(16)19(5,6)43-21(8)13-41-25(39,23(21,30)31)27(35,36)37;1-14(2)15-8-6-10-17-16(15)9-7-11-18(17)19(3,4)28-20(5)12-21(26,27-13-20)22(23,24)25;1-12(2)13-6-8-14(9-7-13)15(3,4)24-16(5)10-17(22,23-11-16)18(19,20)21/h16,63-66H,1,17-20H2,2-15H3;13-14,47-49H,1,15-18H2,2-12H3;9-11,38-39H,1,12-13H2,2-8H3;6-11,26H,1,12-13H2,2-5H3;6-9,22H,1,10-11H2,2-5H3
InChIKeyBWPVUIIOSPJDIS-UHFFFAOYSA-N
XLogP34.13
TPSA425.59 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003308.99
LogP ≤ 534.13
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol (CID 157485131) is 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol is C=C(C)c1c(C(C)(C)OC2(C)COC(C)(O)C2(F)F)c(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)c1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1cc(C(C)(C)OC2(C)COC(C)(O)C2)cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)c1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1cc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2(F)F)ccc1C(C)(C)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)c1ccc(C(C)(C)OC2(C)COC(O)(C(F)(F)F)C2)cc1.C=C(C)c1cccc2c(C(C)(C)OC3(C)COC(O)(C(F)(F)F)C3)cccc12.
What is the InChIKey of 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol?
The InChIKey is BWPVUIIOSPJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H57F17O12.C36H48F10O9.C27H32F10O6.C22H25F3O3.C18H23F3O3/c1-21(2)24-25(29(7,8)73-31(11)17-67-35(15,63)36(31,46)47)22(27(3,4)71-32(12)18-68-40(64,37(32,48)49)43(54,55)56)16-23(28(5,6)72-33(13)19-69-41(65,38(33,50)51)44(57,58)59)26(24)30(9,10)74-34(14)20-70-42(66,39(34,52)53)45(60,61)62;1-19(2)21-13-20(24(3,4)53-27(9)15-30(12,47)50-16-27)14-22(25(5,6)54-28(10)17-51-33(48,31(28,37)38)35(41,42)43)23(21)26(7,8)55-29(11)18-52-34(49,32(29,39)40)36(44,45)46;1-14(2)16-11-15(18(3,4)42-20(7)12-40-24(38,22(20,28)29)26(32,33)34)9-10-17(16)19(5,6)43-21(8)13-41-25(39,23(21,30)31)27(35,36)37;1-14(2)15-8-6-10-17-16(15)9-7-11-18(17)19(3,4)28-20(5)12-21(26,27-13-20)22(23,24)25;1-12(2)13-6-8-14(9-7-13)15(3,4)24-16(5)10-17(22,23-11-16)18(19,20)21/h16,63-66H,1,17-20H2,2-15H3;13-14,47-49H,1,15-18H2,2-12H3;9-11,38-39H,1,12-13H2,2-8H3;6-11,26H,1,12-13H2,2-5H3;6-9,22H,1,10-11H2,2-5H3.
What are the key properties of 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol?
3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol has a molecular weight of 3308.99 g/mol, XLogP of 34.13, 38 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,4-dimethyl-4-[2-[3,4,6-tris[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-2-prop-1-en-2-ylphenyl]propan-2-yloxy]oxolan-2-ol;4-[2-[2-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-5-[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-[2-[4-[2-[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]oxypropan-2-yl]-3-prop-1-en-2-ylphenyl]propan-2-yloxy]-3,3-difluoro-4-methyl-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(5-prop-1-en-2-ylnaphthalen-1-yl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol;4-methyl-4-[2-(4-prop-1-en-2-ylphenyl)propan-2-yloxy]-2-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 157485131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).