2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane

C9H16O6 — CID 70271638

IUPAC2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane
SMILESCC1(C)OCOC(C2(C)OCOCO2)O1
InChIInChI=1S/C9H16O6/c1-8(2)12-6-11-7(15-8)9(3)13-4-10-5-14-9/h7H,4-6H2,1-3H3
InChIKeyOEAJNGJTWLMEPJ-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.76
Rot. Bonds1

About 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane

2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane (PubChem CID 70271638) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane
PubChem CID70271638
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane
SMILESCC1(C)OCOC(C2(C)OCOCO2)O1
InChIInChI=1S/C9H16O6/c1-8(2)12-6-11-7(15-8)9(3)13-4-10-5-14-9/h7H,4-6H2,1-3H3
InChIKeyOEAJNGJTWLMEPJ-UHFFFAOYSA-N
XLogP0.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane?
The IUPAC name of 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane (CID 70271638) is 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane.
What is the SMILES notation for 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane?
The canonical SMILES for 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane is CC1(C)OCOC(C2(C)OCOCO2)O1.
What is the InChIKey of 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane?
The InChIKey is OEAJNGJTWLMEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-8(2)12-6-11-7(15-8)9(3)13-4-10-5-14-9/h7H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane?
2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane has a molecular weight of 220.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methyl-1,3,5-trioxan-2-yl)-1,3,5-trioxane is sourced from PubChem (CID 70271638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).