2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane

C23H44O6 — CID 157141176

IUPAC2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane
SMILESCCC1C(C)OC(C)(OC(C)C(C)C(C)OC2(C)OC(C)C(C)C(C)O2)OC1C
InChIInChI=1S/C23H44O6/c1-12-21-19(8)28-23(11,29-20(21)9)27-18(7)14(3)17(6)26-22(10)24-15(4)13(2)16(5)25-22/h13-21H,12H2,1-11H3
InChIKeyPREYMZUASOIVLJ-UHFFFAOYSA-N
MW416.60 g/mol
LogP5.09
Rot. Bonds7

About 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane

2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane (PubChem CID 157141176) has the molecular formula C23H44O6 and a molecular weight of 416.60 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane
PubChem CID157141176
Molecular FormulaC23H44O6
Molecular Weight416.60 g/mol
Exact Mass416.31
IUPAC Name2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane
SMILESCCC1C(C)OC(C)(OC(C)C(C)C(C)OC2(C)OC(C)C(C)C(C)O2)OC1C
InChIInChI=1S/C23H44O6/c1-12-21-19(8)28-23(11,29-20(21)9)27-18(7)14(3)17(6)26-22(10)24-15(4)13(2)16(5)25-22/h13-21H,12H2,1-11H3
InChIKeyPREYMZUASOIVLJ-UHFFFAOYSA-N
XLogP5.09
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane with MolForge

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Related Compounds

cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
CID 91327441
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
[(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium
CID 163781231
1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane
CID 10727392
2,3,5-triethyl-4,6-dimethyloxane
CID 91375231
2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane
CID 161043827
2-(methoxymethyl)-2,3,4,5,6-pentamethyloxane
CID 58720533

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane?
The IUPAC name of 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane (CID 157141176) is 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane.
What is the SMILES notation for 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane?
The canonical SMILES for 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane is CCC1C(C)OC(C)(OC(C)C(C)C(C)OC2(C)OC(C)C(C)C(C)O2)OC1C.
What is the InChIKey of 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane?
The InChIKey is PREYMZUASOIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O6/c1-12-21-19(8)28-23(11,29-20(21)9)27-18(7)14(3)17(6)26-22(10)24-15(4)13(2)16(5)25-22/h13-21H,12H2,1-11H3.
What are the key properties of 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane?
2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane has a molecular weight of 416.60 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane is sourced from PubChem (CID 157141176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).