4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane

C11H22O3 — CID 58462342

IUPAC4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane
SMILESCOC1CC(C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C11H22O3/c1-10(2,3)8-7-9(12-6)14-11(4,5)13-8/h8-9H,7H2,1-6H3
InChIKeyAYGVIMZCGXXLAL-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.55
Rot. Bonds1

About 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane

4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane (PubChem CID 58462342) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane
PubChem CID58462342
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane
SMILESCOC1CC(C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C11H22O3/c1-10(2,3)8-7-9(12-6)14-11(4,5)13-8/h8-9H,7H2,1-6H3
InChIKeyAYGVIMZCGXXLAL-UHFFFAOYSA-N
XLogP2.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane?
The IUPAC name of 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane (CID 58462342) is 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane is COC1CC(C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane?
The InChIKey is AYGVIMZCGXXLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,3)8-7-9(12-6)14-11(4,5)13-8/h8-9H,7H2,1-6H3.
What are the key properties of 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane?
4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane has a molecular weight of 202.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 58462342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).