4,6-ditert-butyl-4H-1,3-dioxine

C12H22O2 — CID 129074600

IUPAC4,6-ditert-butyl-4H-1,3-dioxine
SMILESCC(C)(C)C1=CC(C(C)(C)C)OCO1
InChIInChI=1S/C12H22O2/c1-11(2,3)9-7-10(12(4,5)6)14-8-13-9/h7,9H,8H2,1-6H3
InChIKeyZVEFHIPHKIMAPQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.34
Rot. Bonds

About 4,6-ditert-butyl-4H-1,3-dioxine

4,6-ditert-butyl-4H-1,3-dioxine (PubChem CID 129074600) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4,6-ditert-butyl-4H-1,3-dioxine.

Molecular Properties

Compound Name4,6-ditert-butyl-4H-1,3-dioxine
PubChem CID129074600
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4,6-ditert-butyl-4H-1,3-dioxine
SMILESCC(C)(C)C1=CC(C(C)(C)C)OCO1
InChIInChI=1S/C12H22O2/c1-11(2,3)9-7-10(12(4,5)6)14-8-13-9/h7,9H,8H2,1-6H3
InChIKeyZVEFHIPHKIMAPQ-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-4H-1,3-dioxine?
The IUPAC name of 4,6-ditert-butyl-4H-1,3-dioxine (CID 129074600) is 4,6-ditert-butyl-4H-1,3-dioxine.
What is the SMILES notation for 4,6-ditert-butyl-4H-1,3-dioxine?
The canonical SMILES for 4,6-ditert-butyl-4H-1,3-dioxine is CC(C)(C)C1=CC(C(C)(C)C)OCO1.
What is the InChIKey of 4,6-ditert-butyl-4H-1,3-dioxine?
The InChIKey is ZVEFHIPHKIMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2,3)9-7-10(12(4,5)6)14-8-13-9/h7,9H,8H2,1-6H3.
What are the key properties of 4,6-ditert-butyl-4H-1,3-dioxine?
4,6-ditert-butyl-4H-1,3-dioxine has a molecular weight of 198.31 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-4H-1,3-dioxine is sourced from PubChem (CID 129074600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).