2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

C8H16O4 — CID 56649808

IUPAC2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESCOC1(C)OCCOC1(C)OC
InChIInChI=1S/C8H16O4/c1-7(9-3)8(2,10-4)12-6-5-11-7/h5-6H2,1-4H3
InChIKeyCRXHHRVUHBINEB-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.76
Rot. Bonds2

About 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (PubChem CID 56649808) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
PubChem CID56649808
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESCOC1(C)OCCOC1(C)OC
InChIInChI=1S/C8H16O4/c1-7(9-3)8(2,10-4)12-6-5-11-7/h5-6H2,1-4H3
InChIKeyCRXHHRVUHBINEB-UHFFFAOYSA-N
XLogP0.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethane, hexaethoxy-
CID 3050085
2,5-Dimethoxy-2,5-dimethyl-1,4-dioxane
CID 346549
Tetra-ethoxypropane
CID 22024899
2,3-Diethoxy-1,4-dioxane
CID 12536103
1,1,2,2-Tetraethoxypropane
CID 15353857
1,4-Dioxane, 2,5-dimethyl-2,5-bis(2-propynyloxy)-
CID 2843803
2,5-Dibutoxy-(1,4)dioxane
CID 3090645
2,3-DI-T-Butoxy-1,4-dioxane
CID 545346
2-Methyl-2-(2-methyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 12280351
3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane
CID 345052
2,5-Diethoxy-1,4-dioxane
CID 12409175
1,1,1,2-Tetraethoxyethane
CID 15266300

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The IUPAC name of 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (CID 56649808) is 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.
What is the SMILES notation for 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The canonical SMILES for 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is COC1(C)OCCOC1(C)OC.
What is the InChIKey of 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The InChIKey is CRXHHRVUHBINEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(9-3)8(2,10-4)12-6-5-11-7/h5-6H2,1-4H3.
What are the key properties of 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
2,3-dimethoxy-2,3-dimethyl-1,4-dioxane has a molecular weight of 176.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is sourced from PubChem (CID 56649808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).