5,5-diethyl-1,3-dioxane

C8H16O2 — CID 18821

IUPAC5,5-diethyl-1,3-dioxane
SMILESCCC1(CC)COCOC1
InChIInChI=1S/C8H16O2/c1-3-8(4-2)5-9-7-10-6-8/h3-7H2,1-2H3
InChIKeyPXZBONIIVQBUBP-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.80
Rot. Bonds2

About 5,5-diethyl-1,3-dioxane

5,5-diethyl-1,3-dioxane (PubChem CID 18821) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5,5-diethyl-1,3-dioxane.

Molecular Properties

Compound Name5,5-diethyl-1,3-dioxane
PubChem CID18821
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5,5-diethyl-1,3-dioxane
SMILESCCC1(CC)COCOC1
InChIInChI=1S/C8H16O2/c1-3-8(4-2)5-9-7-10-6-8/h3-7H2,1-2H3
InChIKeyPXZBONIIVQBUBP-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1,3-dioxane?
The IUPAC name of 5,5-diethyl-1,3-dioxane (CID 18821) is 5,5-diethyl-1,3-dioxane.
What is the SMILES notation for 5,5-diethyl-1,3-dioxane?
The canonical SMILES for 5,5-diethyl-1,3-dioxane is CCC1(CC)COCOC1.
What is the InChIKey of 5,5-diethyl-1,3-dioxane?
The InChIKey is PXZBONIIVQBUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-8(4-2)5-9-7-10-6-8/h3-7H2,1-2H3.
What are the key properties of 5,5-diethyl-1,3-dioxane?
5,5-diethyl-1,3-dioxane has a molecular weight of 144.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-dioxane is sourced from PubChem (CID 18821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).