4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane

C10H20O2 — CID 118673252

IUPAC4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
SMILESCCC1CC(C)OC(C(C)C)O1
InChIInChI=1S/C10H20O2/c1-5-9-6-8(4)11-10(12-9)7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyOFRJYKOFAUPSPC-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds2

About 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane

4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane (PubChem CID 118673252) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
PubChem CID118673252
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
SMILESCCC1CC(C)OC(C(C)C)O1
InChIInChI=1S/C10H20O2/c1-5-9-6-8(4)11-10(12-9)7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyOFRJYKOFAUPSPC-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-6-methyl-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 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane?
The IUPAC name of 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane (CID 118673252) is 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane?
The canonical SMILES for 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane is CCC1CC(C)OC(C(C)C)O1.
What is the InChIKey of 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane?
The InChIKey is OFRJYKOFAUPSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9-6-8(4)11-10(12-9)7(2)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane?
4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 118673252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).