4,6-di(propan-2-yl)-1,3-dioxane

C10H20O2 — CID 567474

IUPAC4,6-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)C1CC(C(C)C)OCO1
InChIInChI=1S/C10H20O2/c1-7(2)9-5-10(8(3)4)12-6-11-9/h7-10H,5-6H2,1-4H3
InChIKeyZOFSQDOORCCLOY-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.43
Rot. Bonds2

About 4,6-di(propan-2-yl)-1,3-dioxane

4,6-di(propan-2-yl)-1,3-dioxane (PubChem CID 567474) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-1,3-dioxane
PubChem CID567474
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4,6-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)C1CC(C(C)C)OCO1
InChIInChI=1S/C10H20O2/c1-7(2)9-5-10(8(3)4)12-6-11-9/h7-10H,5-6H2,1-4H3
InChIKeyZOFSQDOORCCLOY-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-1,3-dioxane?
The IUPAC name of 4,6-di(propan-2-yl)-1,3-dioxane (CID 567474) is 4,6-di(propan-2-yl)-1,3-dioxane.
What is the SMILES notation for 4,6-di(propan-2-yl)-1,3-dioxane?
The canonical SMILES for 4,6-di(propan-2-yl)-1,3-dioxane is CC(C)C1CC(C(C)C)OCO1.
What is the InChIKey of 4,6-di(propan-2-yl)-1,3-dioxane?
The InChIKey is ZOFSQDOORCCLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)9-5-10(8(3)4)12-6-11-9/h7-10H,5-6H2,1-4H3.
What are the key properties of 4,6-di(propan-2-yl)-1,3-dioxane?
4,6-di(propan-2-yl)-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-1,3-dioxane is sourced from PubChem (CID 567474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).