2-ethyl-1,4-dioxane

C6H12O2 — CID 19743370

IUPAC2-ethyl-1,4-dioxane
SMILESCCC1COCCO1
InChIInChI=1S/C6H12O2/c1-2-6-5-7-3-4-8-6/h6H,2-5H2,1H3
InChIKeyVOULXUUJOVRFHR-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds1

About 2-ethyl-1,4-dioxane

2-ethyl-1,4-dioxane (PubChem CID 19743370) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-ethyl-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-1,4-dioxane
PubChem CID19743370
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-ethyl-1,4-dioxane
SMILESCCC1COCCO1
InChIInChI=1S/C6H12O2/c1-2-6-5-7-3-4-8-6/h6H,2-5H2,1H3
InChIKeyVOULXUUJOVRFHR-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-dioxane?
The IUPAC name of 2-ethyl-1,4-dioxane (CID 19743370) is 2-ethyl-1,4-dioxane.
What is the SMILES notation for 2-ethyl-1,4-dioxane?
The canonical SMILES for 2-ethyl-1,4-dioxane is CCC1COCCO1.
What is the InChIKey of 2-ethyl-1,4-dioxane?
The InChIKey is VOULXUUJOVRFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-6-5-7-3-4-8-6/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-1,4-dioxane?
2-ethyl-1,4-dioxane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-dioxane is sourced from PubChem (CID 19743370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).