2,4,4,5,6,6-hexamethyl-1,3-dioxane

C10H20O2 — CID 122415422

IUPAC2,4,4,5,6,6-hexamethyl-1,3-dioxane
SMILESCC1OC(C)(C)C(C)C(C)(C)O1
InChIInChI=1S/C10H20O2/c1-7-9(3,4)11-8(2)12-10(7,5)6/h7-8H,1-6H3
InChIKeyUDNUXUPGFYFMDV-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds

About 2,4,4,5,6,6-hexamethyl-1,3-dioxane

2,4,4,5,6,6-hexamethyl-1,3-dioxane (PubChem CID 122415422) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,4,4,5,6,6-hexamethyl-1,3-dioxane.

Molecular Properties

Compound Name2,4,4,5,6,6-hexamethyl-1,3-dioxane
PubChem CID122415422
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,4,4,5,6,6-hexamethyl-1,3-dioxane
SMILESCC1OC(C)(C)C(C)C(C)(C)O1
InChIInChI=1S/C10H20O2/c1-7-9(3,4)11-8(2)12-10(7,5)6/h7-8H,1-6H3
InChIKeyUDNUXUPGFYFMDV-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 2,4,4,5,6,6-hexamethyl-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 2,4,4,5,6,6-hexamethyl-1,3-dioxane?
The IUPAC name of 2,4,4,5,6,6-hexamethyl-1,3-dioxane (CID 122415422) is 2,4,4,5,6,6-hexamethyl-1,3-dioxane.
What is the SMILES notation for 2,4,4,5,6,6-hexamethyl-1,3-dioxane?
The canonical SMILES for 2,4,4,5,6,6-hexamethyl-1,3-dioxane is CC1OC(C)(C)C(C)C(C)(C)O1.
What is the InChIKey of 2,4,4,5,6,6-hexamethyl-1,3-dioxane?
The InChIKey is UDNUXUPGFYFMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-9(3,4)11-8(2)12-10(7,5)6/h7-8H,1-6H3.
What are the key properties of 2,4,4,5,6,6-hexamethyl-1,3-dioxane?
2,4,4,5,6,6-hexamethyl-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,6,6-hexamethyl-1,3-dioxane is sourced from PubChem (CID 122415422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).