5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane

C17H26O6 — CID 148707532

IUPAC5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane
SMILESCCC1(COC)COC(c2c(OC)cc(OC)cc2OC)OC1
InChIInChI=1S/C17H26O6/c1-6-17(9-18-2)10-22-16(23-11-17)15-13(20-4)7-12(19-3)8-14(15)21-5/h7-8,16H,6,9-11H2,1-5H3
InChIKeyNWORAUPHNAOYKL-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.80
Rot. Bonds7

About 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane

5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane (PubChem CID 148707532) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane
PubChem CID148707532
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane
SMILESCCC1(COC)COC(c2c(OC)cc(OC)cc2OC)OC1
InChIInChI=1S/C17H26O6/c1-6-17(9-18-2)10-22-16(23-11-17)15-13(20-4)7-12(19-3)8-14(15)21-5/h7-8,16H,6,9-11H2,1-5H3
InChIKeyNWORAUPHNAOYKL-UHFFFAOYSA-N
XLogP2.80
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
CID 12721367
4-[[5-ethyl-5-[[5-ethyl-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-2-yl]methyl]-2,6-dimethoxyphenol
CID 132990590
CID 158591674
CID 158591674
2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane
CID 58752975
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
CID 170874053
[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol
CID 132605134
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
(4S)-5,5-dimethyl-4-(2,4,6-trimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187776
3-(chloromethyl)-2-(2,4,6-trimethoxyphenyl)oxolane
CID 79373868
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 43589787
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
CID 66229916

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane?
The IUPAC name of 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane (CID 148707532) is 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane.
What is the SMILES notation for 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane?
The canonical SMILES for 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane is CCC1(COC)COC(c2c(OC)cc(OC)cc2OC)OC1.
What is the InChIKey of 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane?
The InChIKey is NWORAUPHNAOYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O6/c1-6-17(9-18-2)10-22-16(23-11-17)15-13(20-4)7-12(19-3)8-14(15)21-5/h7-8,16H,6,9-11H2,1-5H3.
What are the key properties of 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane?
5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane has a molecular weight of 326.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(methoxymethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-dioxane is sourced from PubChem (CID 148707532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).