5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione

C94H79F119O23Si16 — CID 90689019

IUPAC5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)O[Si]12O[Si]3(O[Si](C)(C)c4ccc5c(c4)C(=O)OC5=O)O[Si]4(O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O1)O[Si]1(O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O2)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O3)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O4)O1
InChIInChI=1S/C94H79F119O23Si16/c1-27(95)39(102,103)46(116,117)53(130,131)60(144,145)67(158,159)74(172,173)81(186,187)88(200,201)238(10,11)218-246-225-245(217-237(8,9)34-24-25-35-36(26-34)38(215)216-37(35)214)226-247(219-239(12,13)89(202,203)82(188,189)75(174,175)68(160,161)61(146,147)54(132,133)47(118,119)40(104,105)28(2)96)230-249(228-246,221-241(16,17)91(206,207)84(192,193)77(178,179)70(164,165)63(150,151)56(136,137)49(122,123)42(108,109)30(4)98)234-252(224-244(22,23)94(212,213)87(198,199)80(184,185)73(170,171)66(156,157)59(142,143)52(128,129)45(114,115)33(7)101)235-250(229-246,222-242(18,19)92(208,209)85(194,195)78(180,181)71(166,167)64(152,153)57(138,139)50(124,125)43(110,111)31(5)99)231-248(227-245,220-240(14,15)90(204,205)83(190,191)76(176,177)69(162,163)62(148,149)55(134,135)48(120,121)41(106,107)29(3)97)233-251(232-247,236-252)223-243(20,21)93(210,211)86(196,197)79(182,183)72(168,169)65(154,155)58(140,141)51(126,127)44(112,113)32(6)100/h24-33H,1-23H3
InChIKeyGKBDYTHKEGHCIS-UHFFFAOYSA-N
MW4286.78 g/mol
LogP43.59
Rot. Bonds80

About 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione

5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione (PubChem CID 90689019) has the molecular formula C94H79F119O23Si16 and a molecular weight of 4286.78 g/mol. Its IUPAC name is 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
PubChem CID90689019
Molecular FormulaC94H79F119O23Si16
Molecular Weight4286.78 g/mol
Exact Mass4283.94
IUPAC Name5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)O[Si]12O[Si]3(O[Si](C)(C)c4ccc5c(c4)C(=O)OC5=O)O[Si]4(O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O1)O[Si]1(O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O2)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O3)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O4)O1
InChIInChI=1S/C94H79F119O23Si16/c1-27(95)39(102,103)46(116,117)53(130,131)60(144,145)67(158,159)74(172,173)81(186,187)88(200,201)238(10,11)218-246-225-245(217-237(8,9)34-24-25-35-36(26-34)38(215)216-37(35)214)226-247(219-239(12,13)89(202,203)82(188,189)75(174,175)68(160,161)61(146,147)54(132,133)47(118,119)40(104,105)28(2)96)230-249(228-246,221-241(16,17)91(206,207)84(192,193)77(178,179)70(164,165)63(150,151)56(136,137)49(122,123)42(108,109)30(4)98)234-252(224-244(22,23)94(212,213)87(198,199)80(184,185)73(170,171)66(156,157)59(142,143)52(128,129)45(114,115)33(7)101)235-250(229-246,222-242(18,19)92(208,209)85(194,195)78(180,181)71(166,167)64(152,153)57(138,139)50(124,125)43(110,111)31(5)99)231-248(227-245,220-240(14,15)90(204,205)83(190,191)76(176,177)69(162,163)62(148,149)55(134,135)48(120,121)41(106,107)29(3)97)233-251(232-247,236-252)223-243(20,21)93(210,211)86(196,197)79(182,183)72(168,169)65(154,155)58(140,141)51(126,127)44(112,113)32(6)100/h24-33H,1-23H3
InChIKeyGKBDYTHKEGHCIS-UHFFFAOYSA-N
XLogP43.59
TPSA227.97 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds80
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004286.78
LogP ≤ 543.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione with MolForge

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Related Compounds

5-[Fluoro(dimethyl)silyl]-2-benzofuran-1,3-dione
CID 23116704
5-[[3,5,7,9,11,13,15-Heptakis[[dimethyl(1,1,2,2,3,3,4,4,5-nonafluorohexyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 90994349
5-[[3,5,7,9,11,13,15-Heptakis[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 91447363
5-(Trimethylsilyl)isobenzofuran-1,3-dione
CID 14531048
2-Benzofuran-1,3-dione;1,1,1-trifluorodecane
CID 161130637
5-[[(1,3-Dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 11811985
5-[Methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
CID 15738357
5-[Dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione
CID 15738362
5-[Ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
CID 23116696
5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione
CID 23116730
4-[Dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione
CID 53912634
4-[Methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
CID 54289028

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione (CID 90689019) is 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione is CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)O[Si]12O[Si]3(O[Si](C)(C)c4ccc5c(c4)C(=O)OC5=O)O[Si]4(O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O1)O[Si]1(O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O2)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O3)O[Si](O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F)(O4)O1.
What is the InChIKey of 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione?
The InChIKey is GKBDYTHKEGHCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H79F119O23Si16/c1-27(95)39(102,103)46(116,117)53(130,131)60(144,145)67(158,159)74(172,173)81(186,187)88(200,201)238(10,11)218-246-225-245(217-237(8,9)34-24-25-35-36(26-34)38(215)216-37(35)214)226-247(219-239(12,13)89(202,203)82(188,189)75(174,175)68(160,161)61(146,147)54(132,133)47(118,119)40(104,105)28(2)96)230-249(228-246,221-241(16,17)91(206,207)84(192,193)77(178,179)70(164,165)63(150,151)56(136,137)49(122,123)42(108,109)30(4)98)234-252(224-244(22,23)94(212,213)87(198,199)80(184,185)73(170,171)66(156,157)59(142,143)52(128,129)45(114,115)33(7)101)235-250(229-246,222-242(18,19)92(208,209)85(194,195)78(180,181)71(166,167)64(152,153)57(138,139)50(124,125)43(110,111)31(5)99)231-248(227-245,220-240(14,15)90(204,205)83(190,191)76(176,177)69(162,163)62(148,149)55(134,135)48(120,121)41(106,107)29(3)97)233-251(232-247,236-252)223-243(20,21)93(210,211)86(196,197)79(182,183)72(168,169)65(154,155)58(140,141)51(126,127)44(112,113)32(6)100/h24-33H,1-23H3.
What are the key properties of 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione?
5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione has a molecular weight of 4286.78 g/mol, XLogP of 43.59, 80 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5,7,9,11,13,15-heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 90689019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).