2-ethyl-6-(2-methylpropyl)-1,4-dioxane

C10H20O2 — CID 123367654

IUPAC2-ethyl-6-(2-methylpropyl)-1,4-dioxane
SMILESCCC1COCC(CC(C)C)O1
InChIInChI=1S/C10H20O2/c1-4-9-6-11-7-10(12-9)5-8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyAZZJMIZZLUMPJU-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About 2-ethyl-6-(2-methylpropyl)-1,4-dioxane

2-ethyl-6-(2-methylpropyl)-1,4-dioxane (PubChem CID 123367654) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethyl-6-(2-methylpropyl)-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-6-(2-methylpropyl)-1,4-dioxane
PubChem CID123367654
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethyl-6-(2-methylpropyl)-1,4-dioxane
SMILESCCC1COCC(CC(C)C)O1
InChIInChI=1S/C10H20O2/c1-4-9-6-11-7-10(12-9)5-8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyAZZJMIZZLUMPJU-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methylpropyl)-1,4-dioxane?
The IUPAC name of 2-ethyl-6-(2-methylpropyl)-1,4-dioxane (CID 123367654) is 2-ethyl-6-(2-methylpropyl)-1,4-dioxane.
What is the SMILES notation for 2-ethyl-6-(2-methylpropyl)-1,4-dioxane?
The canonical SMILES for 2-ethyl-6-(2-methylpropyl)-1,4-dioxane is CCC1COCC(CC(C)C)O1.
What is the InChIKey of 2-ethyl-6-(2-methylpropyl)-1,4-dioxane?
The InChIKey is AZZJMIZZLUMPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9-6-11-7-10(12-9)5-8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-6-(2-methylpropyl)-1,4-dioxane?
2-ethyl-6-(2-methylpropyl)-1,4-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methylpropyl)-1,4-dioxane is sourced from PubChem (CID 123367654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).