2-ethyl-2-methyl-1,3-dioxane

C7H14O2 — CID 11789239

IUPAC2-ethyl-2-methyl-1,3-dioxane
SMILESCCC1(C)OCCCO1
InChIInChI=1S/C7H14O2/c1-3-7(2)8-5-4-6-9-7/h3-6H2,1-2H3
InChIKeyJHWXRSHCAUVQFP-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.55
Rot. Bonds1

About 2-ethyl-2-methyl-1,3-dioxane

2-ethyl-2-methyl-1,3-dioxane (PubChem CID 11789239) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-ethyl-2-methyl-1,3-dioxane
PubChem CID11789239
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-ethyl-2-methyl-1,3-dioxane
SMILESCCC1(C)OCCCO1
InChIInChI=1S/C7H14O2/c1-3-7(2)8-5-4-6-9-7/h3-6H2,1-2H3
InChIKeyJHWXRSHCAUVQFP-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-methyl-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-ethyl-2-methyl-1,3-dioxane?
The IUPAC name of 2-ethyl-2-methyl-1,3-dioxane (CID 11789239) is 2-ethyl-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-ethyl-2-methyl-1,3-dioxane?
The canonical SMILES for 2-ethyl-2-methyl-1,3-dioxane is CCC1(C)OCCCO1.
What is the InChIKey of 2-ethyl-2-methyl-1,3-dioxane?
The InChIKey is JHWXRSHCAUVQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-7(2)8-5-4-6-9-7/h3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-1,3-dioxane?
2-ethyl-2-methyl-1,3-dioxane has a molecular weight of 130.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1,3-dioxane is sourced from PubChem (CID 11789239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).