CID 165024401

C228H344Cl12O96Si32 — CID 165024401

IUPAC—
SMILESCC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OC(C)=O)OC(C)=O.CC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OC(C)=O)OC(C)=O.CC(=O)O[Si](CCOc1ccc2c(c1)CO[Si]O2)(OC(C)=O)OC(C)=O.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)(CC)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si]O2)(OCC)OCC.CC[Si]1(C)OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.CC[Si]1(C)OCc2cc(OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)ccc2O1.CC[Si]1(C)OCc2cc(OCC[Si](OC)(OC)OC)ccc2O1.CO[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OC)OC.CO[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OC)OC.CO[Si](CCOc1ccc2c(c1)CO[Si]O2)(OC)OC.C[Si]1(C)OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.C[Si]1OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.Cl[Si](Cl)(Cl)CCOc1ccc2c(c1)CO[Si]O2
InChIInChI=1S/C18H26O9Si2.C18H32O6Si2.C17H24O9Si2.C17H30O6Si2.C16H21O9Si2.C16H27O6Si2.C15H18O9Si2.C15H26O6Si2.C15H24O6Si2.C14H24O6Si2.C13H21O6Si2.C12H17Cl3O3Si2.C12H18O6Si2.C11H15Cl3O3Si2.C10H12Cl3O3Si2.C9H9Cl3O3Si2/c1-6-28(5)23-12-16-11-17(7-8-18(16)27-28)22-9-10-29(24-13(2)19,25-14(3)20)26-15(4)21;1-6-20-26(21-7-2,22-8-3)13-12-19-17-10-11-18-16(14-17)15-23-25(5,9-4)24-18;1-12(18)23-28(24-13(2)19,25-14(3)20)9-8-21-16-6-7-17-15(10-16)11-22-27(4,5)26-17;1-6-19-25(20-7-2,21-8-3)12-11-18-16-9-10-17-15(13-16)14-22-24(4,5)23-17;1-11(17)23-27(24-12(2)18,25-13(3)19)8-7-20-15-5-6-16-14(9-15)10-21-26(4)22-16;1-5-19-24(20-6-2,21-7-3)11-10-17-15-8-9-16-14(12-15)13-18-23(4)22-16;1-10(16)22-26(23-11(2)17,24-12(3)18)7-6-19-14-4-5-15-13(8-14)9-20-25-21-15;1-6-22(5)20-12-13-11-14(7-8-15(13)21-22)19-9-10-23(16-2,17-3)18-4;1-4-18-23(19-5-2,20-6-3)10-9-16-14-7-8-15-13(11-14)12-17-22-21-15;1-15-22(16-2,17-3)9-8-18-13-6-7-14-12(10-13)11-19-21(4,5)20-14;1-14-21(15-2,16-3)8-7-17-12-5-6-13-11(9-12)10-18-20(4)19-13;1-3-19(2)17-9-10-8-11(4-5-12(10)18-19)16-6-7-20(13,14)15;1-13-20(14-2,15-3)7-6-16-11-4-5-12-10(8-11)9-17-19-18-12;1-18(2)16-8-9-7-10(3-4-11(9)17-18)15-5-6-19(12,13)14;1-17-15-7-8-6-9(2-3-10(8)16-17)14-4-5-18(11,12)13;10-17(11,12)4-3-13-8-1-2-9-7(5-8)6-14-16-15-9/h7-8,11H,6,9-10,12H2,1-5H3;10-11,14H,6-9,12-13,15H2,1-5H3;6-7,10H,8-9,11H2,1-5H3;9-10,13H,6-8,11-12,14H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;8-9,12H,5-7,10-11,13H2,1-4H3;4-5,8H,6-7,9H2,1-3H3;7-8,11H,6,9-10,12H2,1-5H3;7-8,11H,4-6,9-10,12H2,1-3H3;6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8H,3,6-7,9H2,1-2H3;4-5,8H,6-7,9H2,1-3H3;3-4,7H,5-6,8H2,1-2H3;2-3,6H,4-5,7H2,1H3;1-2,5H,3-4,6H2
InChIKeyFNKCGEFFPIQESO-UHFFFAOYSA-N
MW5945.35 g/mol
LogP46.21
Rot. Bonds116

About CID 165024401

CID 165024401 (PubChem CID 165024401) has the molecular formula C228H344Cl12O96Si32 and a molecular weight of 5945.35 g/mol.

Molecular Properties

Compound NameCID 165024401
PubChem CID165024401
Molecular FormulaC228H344Cl12O96Si32
Molecular Weight5945.35 g/mol
Exact Mass5933.09
IUPAC Name—
SMILESCC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OC(C)=O)OC(C)=O.CC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OC(C)=O)OC(C)=O.CC(=O)O[Si](CCOc1ccc2c(c1)CO[Si]O2)(OC(C)=O)OC(C)=O.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)(CC)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si]O2)(OCC)OCC.CC[Si]1(C)OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.CC[Si]1(C)OCc2cc(OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)ccc2O1.CC[Si]1(C)OCc2cc(OCC[Si](OC)(OC)OC)ccc2O1.CO[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OC)OC.CO[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OC)OC.CO[Si](CCOc1ccc2c(c1)CO[Si]O2)(OC)OC.C[Si]1(C)OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.C[Si]1OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.Cl[Si](Cl)(Cl)CCOc1ccc2c(c1)CO[Si]O2
InChIInChI=1S/C18H26O9Si2.C18H32O6Si2.C17H24O9Si2.C17H30O6Si2.C16H21O9Si2.C16H27O6Si2.C15H18O9Si2.C15H26O6Si2.C15H24O6Si2.C14H24O6Si2.C13H21O6Si2.C12H17Cl3O3Si2.C12H18O6Si2.C11H15Cl3O3Si2.C10H12Cl3O3Si2.C9H9Cl3O3Si2/c1-6-28(5)23-12-16-11-17(7-8-18(16)27-28)22-9-10-29(24-13(2)19,25-14(3)20)26-15(4)21;1-6-20-26(21-7-2,22-8-3)13-12-19-17-10-11-18-16(14-17)15-23-25(5,9-4)24-18;1-12(18)23-28(24-13(2)19,25-14(3)20)9-8-21-16-6-7-17-15(10-16)11-22-27(4,5)26-17;1-6-19-25(20-7-2,21-8-3)12-11-18-16-9-10-17-15(13-16)14-22-24(4,5)23-17;1-11(17)23-27(24-12(2)18,25-13(3)19)8-7-20-15-5-6-16-14(9-15)10-21-26(4)22-16;1-5-19-24(20-6-2,21-7-3)11-10-17-15-8-9-16-14(12-15)13-18-23(4)22-16;1-10(16)22-26(23-11(2)17,24-12(3)18)7-6-19-14-4-5-15-13(8-14)9-20-25-21-15;1-6-22(5)20-12-13-11-14(7-8-15(13)21-22)19-9-10-23(16-2,17-3)18-4;1-4-18-23(19-5-2,20-6-3)10-9-16-14-7-8-15-13(11-14)12-17-22-21-15;1-15-22(16-2,17-3)9-8-18-13-6-7-14-12(10-13)11-19-21(4,5)20-14;1-14-21(15-2,16-3)8-7-17-12-5-6-13-11(9-12)10-18-20(4)19-13;1-3-19(2)17-9-10-8-11(4-5-12(10)18-19)16-6-7-20(13,14)15;1-13-20(14-2,15-3)7-6-16-11-4-5-12-10(8-11)9-17-19-18-12;1-18(2)16-8-9-7-10(3-4-11(9)17-18)15-5-6-19(12,13)14;1-17-15-7-8-6-9(2-3-10(8)16-17)14-4-5-18(11,12)13;10-17(11,12)4-3-13-8-1-2-9-7(5-8)6-14-16-15-9/h7-8,11H,6,9-10,12H2,1-5H3;10-11,14H,6-9,12-13,15H2,1-5H3;6-7,10H,8-9,11H2,1-5H3;9-10,13H,6-8,11-12,14H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;8-9,12H,5-7,10-11,13H2,1-4H3;4-5,8H,6-7,9H2,1-3H3;7-8,11H,6,9-10,12H2,1-5H3;7-8,11H,4-6,9-10,12H2,1-3H3;6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8H,3,6-7,9H2,1-2H3;4-5,8H,6-7,9H2,1-3H3;3-4,7H,5-6,8H2,1-2H3;2-3,6H,4-5,7H2,1H3;1-2,5H,3-4,6H2
InChIKeyFNKCGEFFPIQESO-UHFFFAOYSA-N
XLogP46.21
TPSA980.16 Ų
H-Bond Donors
H-Bond Acceptors96
Rotatable Bonds116
Heavy Atoms368
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005945.35
LogP ≤ 546.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1096

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Related Compounds

[diacetyloxy-[2-[[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]oxy]ethyl]silyl] acetate
CID 164815704
3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate
CID 164816291
[diacetyloxy-[2-[(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
CID 164815733
[diacetyloxy-[[2-(3-aminopropyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silyl] acetate;[diacetyloxy-[[2-[3-(dimethylamino)propyl]-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[[2-methyl-2-(3-sulfanylpropyl)-4H-1,3,2-benzodioxasilin-6-yl]oxymethyl]silyl] acetate;N,N-dimethyl-3-[2-methyl-6-(trichlorosilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine;N,N-dimethyl-3-[2-methyl-6-(triethoxysilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine;N,N-dimethyl-3-[2-methyl-6-(trimethoxysilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine;3-[2-methyl-6-(trichlorosilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine;3-[2-methyl-6-(trichlorosilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propane-1-thiol;bis(3-[2-methyl-6-(triethoxysilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine);bis(3-[2-methyl-6-(trimethoxysilylmethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine);trichloro-[(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane;trimethoxy-[(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silane
CID 165076222
[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
CID 164816429
[diacetyloxy-[2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl]silyl] acetate;[diacetyloxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silyl] acetate;2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl-triethoxysilane;2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl-trimethoxysilane;trichloro-[2-(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;trichloro-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;triethoxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane;trimethoxy-[2-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)ethyl]silane
CID 165031551
triethoxy-[2-(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silane
CID 164960790
[diacetyloxy-[(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl-triethoxysilane;(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl-trimethoxysilane;trichloro-[(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;bis(trimethoxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane)
CID 165056852
[diacetyloxy-[2-(3-aminopropyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]silyl] acetate;[diacetyloxy-(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)silyl] acetate;N,N-dimethyl-3-(2-methyl-6-trimethoxysilyl-4H-1,3,2-benzodioxasilin-2-yl)propan-1-amine;3-(2-methyl-6-trichlorosilyl-4H-1,3,2-benzodioxasilin-2-yl)propan-1-amine;3-(2-methyl-6-triethoxysilyl-4H-1,3,2-benzodioxasilin-2-yl)propan-1-amine;3-(2-methyl-6-trimethoxysilyl-4H-1,3,2-benzodioxasilin-2-yl)propan-1-amine;trichloro-(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)silane;triethoxy-(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)silane;trimethoxy-(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)silane
CID 165069154
triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane
CID 164815717
[diacetyloxy-[3-[(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silyl] acetate
CID 164816467
[diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate
CID 164816253

Frequently Asked Questions

What is the IUPAC name of CID 165024401?
The IUPAC name of CID 165024401 (CID 165024401) is not available.
What is the SMILES notation for CID 165024401?
The canonical SMILES for CID 165024401 is CC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OC(C)=O)OC(C)=O.CC(=O)O[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OC(C)=O)OC(C)=O.CC(=O)O[Si](CCOc1ccc2c(c1)CO[Si]O2)(OC(C)=O)OC(C)=O.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)(CC)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OCC)OCC.CCO[Si](CCOc1ccc2c(c1)CO[Si]O2)(OCC)OCC.CC[Si]1(C)OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.CC[Si]1(C)OCc2cc(OCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O)ccc2O1.CC[Si]1(C)OCc2cc(OCC[Si](OC)(OC)OC)ccc2O1.CO[Si](CCOc1ccc2c(c1)CO[Si](C)(C)O2)(OC)OC.CO[Si](CCOc1ccc2c(c1)CO[Si](C)O2)(OC)OC.CO[Si](CCOc1ccc2c(c1)CO[Si]O2)(OC)OC.C[Si]1(C)OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.C[Si]1OCc2cc(OCC[Si](Cl)(Cl)Cl)ccc2O1.Cl[Si](Cl)(Cl)CCOc1ccc2c(c1)CO[Si]O2.
What is the InChIKey of CID 165024401?
The InChIKey is FNKCGEFFPIQESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O9Si2.C18H32O6Si2.C17H24O9Si2.C17H30O6Si2.C16H21O9Si2.C16H27O6Si2.C15H18O9Si2.C15H26O6Si2.C15H24O6Si2.C14H24O6Si2.C13H21O6Si2.C12H17Cl3O3Si2.C12H18O6Si2.C11H15Cl3O3Si2.C10H12Cl3O3Si2.C9H9Cl3O3Si2/c1-6-28(5)23-12-16-11-17(7-8-18(16)27-28)22-9-10-29(24-13(2)19,25-14(3)20)26-15(4)21;1-6-20-26(21-7-2,22-8-3)13-12-19-17-10-11-18-16(14-17)15-23-25(5,9-4)24-18;1-12(18)23-28(24-13(2)19,25-14(3)20)9-8-21-16-6-7-17-15(10-16)11-22-27(4,5)26-17;1-6-19-25(20-7-2,21-8-3)12-11-18-16-9-10-17-15(13-16)14-22-24(4,5)23-17;1-11(17)23-27(24-12(2)18,25-13(3)19)8-7-20-15-5-6-16-14(9-15)10-21-26(4)22-16;1-5-19-24(20-6-2,21-7-3)11-10-17-15-8-9-16-14(12-15)13-18-23(4)22-16;1-10(16)22-26(23-11(2)17,24-12(3)18)7-6-19-14-4-5-15-13(8-14)9-20-25-21-15;1-6-22(5)20-12-13-11-14(7-8-15(13)21-22)19-9-10-23(16-2,17-3)18-4;1-4-18-23(19-5-2,20-6-3)10-9-16-14-7-8-15-13(11-14)12-17-22-21-15;1-15-22(16-2,17-3)9-8-18-13-6-7-14-12(10-13)11-19-21(4,5)20-14;1-14-21(15-2,16-3)8-7-17-12-5-6-13-11(9-12)10-18-20(4)19-13;1-3-19(2)17-9-10-8-11(4-5-12(10)18-19)16-6-7-20(13,14)15;1-13-20(14-2,15-3)7-6-16-11-4-5-12-10(8-11)9-17-19-18-12;1-18(2)16-8-9-7-10(3-4-11(9)17-18)15-5-6-19(12,13)14;1-17-15-7-8-6-9(2-3-10(8)16-17)14-4-5-18(11,12)13;10-17(11,12)4-3-13-8-1-2-9-7(5-8)6-14-16-15-9/h7-8,11H,6,9-10,12H2,1-5H3;10-11,14H,6-9,12-13,15H2,1-5H3;6-7,10H,8-9,11H2,1-5H3;9-10,13H,6-8,11-12,14H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;8-9,12H,5-7,10-11,13H2,1-4H3;4-5,8H,6-7,9H2,1-3H3;7-8,11H,6,9-10,12H2,1-5H3;7-8,11H,4-6,9-10,12H2,1-3H3;6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;4-5,8H,3,6-7,9H2,1-2H3;4-5,8H,6-7,9H2,1-3H3;3-4,7H,5-6,8H2,1-2H3;2-3,6H,4-5,7H2,1H3;1-2,5H,3-4,6H2.
What are the key properties of CID 165024401?
CID 165024401 has a molecular weight of 5945.35 g/mol, XLogP of 46.21, 116 rotatable bonds, 0 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165024401 is sourced from PubChem (CID 165024401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).