4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane

C60H99F3O21 — CID 123372849

IUPAC4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane
SMILESCCCC1(C2(C3(CC)OCCCO3)OC(C)OC(C3(C)OCCC(C)(C4(C)OC(C)CC(C)(C5(C)OCC(C)(C)CO5)O4)O3)(C3(CC4(C)OCCCO4)OCCCO3)C2(C2(COC)OCCCO2)C2(CC(F)(F)F)OCCCO2)OCCCO1
InChIInChI=1S/C60H99F3O21/c1-14-22-53(70-28-18-29-71-53)60(52(15-2)68-26-17-27-69-52)58(56(42-64-13)76-34-21-35-77-56,54(39-57(61,62)63)72-30-19-31-73-54)59(81-44(4)82-60,55(74-32-20-33-75-55)38-48(9)65-24-16-25-66-48)51(12)67-36-23-46(7,83-51)50(11)80-43(3)37-47(8,84-50)49(10)78-40-45(5,6)41-79-49/h43-44H,14-42H2,1-13H3
InChIKeyLQZPTIZVVMDTSB-UHFFFAOYSA-N
MW1213.42 g/mol
LogP8.86
Rot. Bonds16

About 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane

4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane (PubChem CID 123372849) has the molecular formula C60H99F3O21 and a molecular weight of 1213.42 g/mol. Its IUPAC name is 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane
PubChem CID123372849
Molecular FormulaC60H99F3O21
Molecular Weight1213.42 g/mol
Exact Mass1212.66
IUPAC Name4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane
SMILESCCCC1(C2(C3(CC)OCCCO3)OC(C)OC(C3(C)OCCC(C)(C4(C)OC(C)CC(C)(C5(C)OCC(C)(C)CO5)O4)O3)(C3(CC4(C)OCCCO4)OCCCO3)C2(C2(COC)OCCCO2)C2(CC(F)(F)F)OCCCO2)OCCCO1
InChIInChI=1S/C60H99F3O21/c1-14-22-53(70-28-18-29-71-53)60(52(15-2)68-26-17-27-69-52)58(56(42-64-13)76-34-21-35-77-56,54(39-57(61,62)63)72-30-19-31-73-54)59(81-44(4)82-60,55(74-32-20-33-75-55)38-48(9)65-24-16-25-66-48)51(12)67-36-23-46(7,83-51)50(11)80-43(3)37-47(8,84-50)49(10)78-40-45(5,6)41-79-49/h43-44H,14-42H2,1-13H3
InChIKeyLQZPTIZVVMDTSB-UHFFFAOYSA-N
XLogP8.86
TPSA193.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.42
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane?
The IUPAC name of 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane (CID 123372849) is 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane.
What is the SMILES notation for 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane?
The canonical SMILES for 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane is CCCC1(C2(C3(CC)OCCCO3)OC(C)OC(C3(C)OCCC(C)(C4(C)OC(C)CC(C)(C5(C)OCC(C)(C)CO5)O4)O3)(C3(CC4(C)OCCCO4)OCCCO3)C2(C2(COC)OCCCO2)C2(CC(F)(F)F)OCCCO2)OCCCO1.
What is the InChIKey of 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane?
The InChIKey is LQZPTIZVVMDTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H99F3O21/c1-14-22-53(70-28-18-29-71-53)60(52(15-2)68-26-17-27-69-52)58(56(42-64-13)76-34-21-35-77-56,54(39-57(61,62)63)72-30-19-31-73-54)59(81-44(4)82-60,55(74-32-20-33-75-55)38-48(9)65-24-16-25-66-48)51(12)67-36-23-46(7,83-51)50(11)80-43(3)37-47(8,84-50)49(10)78-40-45(5,6)41-79-49/h43-44H,14-42H2,1-13H3.
What are the key properties of 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane?
4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane has a molecular weight of 1213.42 g/mol, XLogP of 8.86, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-4-[2,4,6-trimethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,3-dioxan-2-yl]-1,3-dioxan-2-yl]-6-(2-ethyl-1,3-dioxan-2-yl)-5-[2-(methoxymethyl)-1,3-dioxan-2-yl]-2-methyl-4-[2-[(2-methyl-1,3-dioxan-2-yl)methyl]-1,3-dioxan-2-yl]-6-(2-propyl-1,3-dioxan-2-yl)-5-[2-(2,2,2-trifluoroethyl)-1,3-dioxan-2-yl]-1,3-dioxane is sourced from PubChem (CID 123372849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).