2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane

C8H16O3 — CID 14597942

IUPAC2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane
SMILESCOCC1OCC(C)(C)CO1
InChIInChI=1S/C8H16O3/c1-8(2)5-10-7(4-9-3)11-6-8/h7H,4-6H2,1-3H3
InChIKeyCSLAGYLNVXNEFD-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.03
Rot. Bonds2

About 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane

2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane (PubChem CID 14597942) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane
PubChem CID14597942
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane
SMILESCOCC1OCC(C)(C)CO1
InChIInChI=1S/C8H16O3/c1-8(2)5-10-7(4-9-3)11-6-8/h7H,4-6H2,1-3H3
InChIKeyCSLAGYLNVXNEFD-UHFFFAOYSA-N
XLogP1.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Methoxymethyl)-2,5-dimethyl-1,3-dioxane
CID 29629
1,3-Dioxane, 2,5,5-trimethyl-
CID 12517392
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-dimethyl-
CID 69881
2-tert-Butyl-1,3-dioxane
CID 303696
2-Isopropyl-5,5-dimethyl-1,3-dioxane
CID 82103
2-Ethyl-5,5-dimethyl-1,3-dioxane
CID 69852
m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-
CID 31451
5,5-Dimethyl-2-propyl-1,3-dioxane
CID 221887
1,3,5-Trioxane, 2,4,6-tris(1,1-dimethylethyl)-
CID 9878337
Orthoformic acid, cyclic 2,2-dimethyltrimethylene ethyl ester
CID 11137431
2-Tert-butyl-5-methyl-1,3-dioxane
CID 10012162
2,5-Dibutoxy-(1,4)dioxane
CID 3090645

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane (CID 14597942) is 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane is COCC1OCC(C)(C)CO1.
What is the InChIKey of 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane?
The InChIKey is CSLAGYLNVXNEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2)5-10-7(4-9-3)11-6-8/h7H,4-6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane?
2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane has a molecular weight of 160.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 14597942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).