3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane

C10H20O4 — CID 345052

IUPAC3,6-dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane
SMILESCC1(C(OC(C(O1)OC)(C)C)OC)C
InChIInChI=1S/C10H20O4/c1-9(2)7(11-5)14-10(3,4)8(12-6)13-9/h7-8H,1-6H3
InChIKeySHKMVMDDZRIKBO-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.00
Rot. Bonds2

About 3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane

3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane (PubChem CID 345052) has the molecular formula C10H20O4 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3,6-dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane.

Molecular Properties

Compound Name3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane
PubChem CID345052
Molecular FormulaC10H20O4
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3,6-dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane
SMILESCC1(C(OC(C(O1)OC)(C)C)OC)C
InChIInChI=1S/C10H20O4/c1-9(2)7(11-5)14-10(3,4)8(12-6)13-9/h7-8H,1-6H3
InChIKeySHKMVMDDZRIKBO-UHFFFAOYSA-N
XLogP1.00
TPSA36.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity178

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane?
The IUPAC name of 3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane (CID 345052) is 3,6-dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane.
What is the SMILES notation for 3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane?
The canonical SMILES for 3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane is CC1(C(OC(C(O1)OC)(C)C)OC)C.
What is the InChIKey of 3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane?
The InChIKey is SHKMVMDDZRIKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2)7(11-5)14-10(3,4)8(12-6)13-9/h7-8H,1-6H3.
What are the key properties of 3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane?
3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane has a molecular weight of 204.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane is sourced from PubChem (CID 345052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).