2,2,5-triethyl-5-methyl-1,3-dioxane

C11H22O2 — CID 15363610

IUPAC2,2,5-triethyl-5-methyl-1,3-dioxane
SMILESCCC1(C)COC(CC)(CC)OC1
InChIInChI=1S/C11H22O2/c1-5-10(4)8-12-11(6-2,7-3)13-9-10/h5-9H2,1-4H3
InChIKeyAERXSKAAOXPGLG-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.97
Rot. Bonds3

About 2,2,5-triethyl-5-methyl-1,3-dioxane

2,2,5-triethyl-5-methyl-1,3-dioxane (PubChem CID 15363610) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,2,5-triethyl-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2,2,5-triethyl-5-methyl-1,3-dioxane
PubChem CID15363610
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,2,5-triethyl-5-methyl-1,3-dioxane
SMILESCCC1(C)COC(CC)(CC)OC1
InChIInChI=1S/C11H22O2/c1-5-10(4)8-12-11(6-2,7-3)13-9-10/h5-9H2,1-4H3
InChIKeyAERXSKAAOXPGLG-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-triethyl-5-methyl-1,3-dioxane?
The IUPAC name of 2,2,5-triethyl-5-methyl-1,3-dioxane (CID 15363610) is 2,2,5-triethyl-5-methyl-1,3-dioxane.
What is the SMILES notation for 2,2,5-triethyl-5-methyl-1,3-dioxane?
The canonical SMILES for 2,2,5-triethyl-5-methyl-1,3-dioxane is CCC1(C)COC(CC)(CC)OC1.
What is the InChIKey of 2,2,5-triethyl-5-methyl-1,3-dioxane?
The InChIKey is AERXSKAAOXPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-10(4)8-12-11(6-2,7-3)13-9-10/h5-9H2,1-4H3.
What are the key properties of 2,2,5-triethyl-5-methyl-1,3-dioxane?
2,2,5-triethyl-5-methyl-1,3-dioxane has a molecular weight of 186.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-triethyl-5-methyl-1,3-dioxane is sourced from PubChem (CID 15363610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).