5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane

C12H24O3 — CID 28513

IUPAC5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane
SMILESCCC1(C(C)OC)COC(C(C)C)OC1
InChIInChI=1S/C12H24O3/c1-6-12(10(4)13-5)7-14-11(9(2)3)15-8-12/h9-11H,6-8H2,1-5H3
InChIKeyUPDCVSDLJLPFDO-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.45
Rot. Bonds4

About 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane

5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane (PubChem CID 28513) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane
PubChem CID28513
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane
SMILESCCC1(C(C)OC)COC(C(C)C)OC1
InChIInChI=1S/C12H24O3/c1-6-12(10(4)13-5)7-14-11(9(2)3)15-8-12/h9-11H,6-8H2,1-5H3
InChIKeyUPDCVSDLJLPFDO-UHFFFAOYSA-N
XLogP2.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-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 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane?
The IUPAC name of 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane (CID 28513) is 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane?
The canonical SMILES for 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane is CCC1(C(C)OC)COC(C(C)C)OC1.
What is the InChIKey of 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane?
The InChIKey is UPDCVSDLJLPFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-12(10(4)13-5)7-14-11(9(2)3)15-8-12/h9-11H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane?
5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane has a molecular weight of 216.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(1-methoxyethyl)-2-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 28513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).