2-ethoxy-5,5-dimethyl-1,3-dioxane

C8H16O3 — CID 11137431

IUPAC2-ethoxy-5,5-dimethyl-1,3-dioxane
SMILESCCOC1OCC(C)(C)CO1
InChIInChI=1S/C8H16O3/c1-4-9-7-10-5-8(2,3)6-11-7/h7H,4-6H2,1-3H3
InChIKeyCAZKQJIGXMPMIL-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.38
Rot. Bonds2

About 2-ethoxy-5,5-dimethyl-1,3-dioxane

2-ethoxy-5,5-dimethyl-1,3-dioxane (PubChem CID 11137431) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-ethoxy-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-ethoxy-5,5-dimethyl-1,3-dioxane
PubChem CID11137431
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-ethoxy-5,5-dimethyl-1,3-dioxane
SMILESCCOC1OCC(C)(C)CO1
InChIInChI=1S/C8H16O3/c1-4-9-7-10-5-8(2,3)6-11-7/h7H,4-6H2,1-3H3
InChIKeyCAZKQJIGXMPMIL-UHFFFAOYSA-N
XLogP1.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-5,5-dimethyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-ethoxy-5,5-dimethyl-1,3-dioxane (CID 11137431) is 2-ethoxy-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-ethoxy-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-ethoxy-5,5-dimethyl-1,3-dioxane is CCOC1OCC(C)(C)CO1.
What is the InChIKey of 2-ethoxy-5,5-dimethyl-1,3-dioxane?
The InChIKey is CAZKQJIGXMPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-9-7-10-5-8(2,3)6-11-7/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-5,5-dimethyl-1,3-dioxane?
2-ethoxy-5,5-dimethyl-1,3-dioxane has a molecular weight of 160.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 11137431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).