4,4,6,6-tetramethyl-1,3-dioxane

C8H16O2 — CID 13053043

IUPAC4,4,6,6-tetramethyl-1,3-dioxane
SMILESCC1(C)CC(C)(C)OCO1
InChIInChI=1S/C8H16O2/c1-7(2)5-8(3,4)10-6-9-7/h5-6H2,1-4H3
InChIKeyBMGIRMFRDCIYLO-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.94
Rot. Bonds

About 4,4,6,6-tetramethyl-1,3-dioxane

4,4,6,6-tetramethyl-1,3-dioxane (PubChem CID 13053043) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-1,3-dioxane.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-1,3-dioxane
PubChem CID13053043
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4,4,6,6-tetramethyl-1,3-dioxane
SMILESCC1(C)CC(C)(C)OCO1
InChIInChI=1S/C8H16O2/c1-7(2)5-8(3,4)10-6-9-7/h5-6H2,1-4H3
InChIKeyBMGIRMFRDCIYLO-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-1,3-dioxane?
The IUPAC name of 4,4,6,6-tetramethyl-1,3-dioxane (CID 13053043) is 4,4,6,6-tetramethyl-1,3-dioxane.
What is the SMILES notation for 4,4,6,6-tetramethyl-1,3-dioxane?
The canonical SMILES for 4,4,6,6-tetramethyl-1,3-dioxane is CC1(C)CC(C)(C)OCO1.
What is the InChIKey of 4,4,6,6-tetramethyl-1,3-dioxane?
The InChIKey is BMGIRMFRDCIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)5-8(3,4)10-6-9-7/h5-6H2,1-4H3.
What are the key properties of 4,4,6,6-tetramethyl-1,3-dioxane?
4,4,6,6-tetramethyl-1,3-dioxane has a molecular weight of 144.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-1,3-dioxane is sourced from PubChem (CID 13053043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).