2,3-ditert-butyl-1,4-dioxane

C12H24O2 — CID 20805055

IUPAC2,3-ditert-butyl-1,4-dioxane
SMILESCC(C)(C)C1OCCOC1C(C)(C)C
InChIInChI=1S/C12H24O2/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h9-10H,7-8H2,1-6H3
InChIKeyXCEHSZTYTHTORO-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.86
Rot. Bonds

About 2,3-ditert-butyl-1,4-dioxane

2,3-ditert-butyl-1,4-dioxane (PubChem CID 20805055) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,3-ditert-butyl-1,4-dioxane.

Molecular Properties

Compound Name2,3-ditert-butyl-1,4-dioxane
PubChem CID20805055
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,3-ditert-butyl-1,4-dioxane
SMILESCC(C)(C)C1OCCOC1C(C)(C)C
InChIInChI=1S/C12H24O2/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h9-10H,7-8H2,1-6H3
InChIKeyXCEHSZTYTHTORO-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1,4-dioxane?
The IUPAC name of 2,3-ditert-butyl-1,4-dioxane (CID 20805055) is 2,3-ditert-butyl-1,4-dioxane.
What is the SMILES notation for 2,3-ditert-butyl-1,4-dioxane?
The canonical SMILES for 2,3-ditert-butyl-1,4-dioxane is CC(C)(C)C1OCCOC1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-1,4-dioxane?
The InChIKey is XCEHSZTYTHTORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,3)9-10(12(4,5)6)14-8-7-13-9/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-1,4-dioxane?
2,3-ditert-butyl-1,4-dioxane has a molecular weight of 200.32 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1,4-dioxane is sourced from PubChem (CID 20805055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).