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

C8H16O3 — CID 29629

IUPAC5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane
SMILESCOCC1(C)COC(C)OC1
InChIInChI=1S/C8H16O3/c1-7-10-5-8(2,4-9-3)6-11-7/h7H,4-6H2,1-3H3
InChIKeyVWPPOYZNPCNBMV-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.03
Rot. Bonds2

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

5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane (PubChem CID 29629) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane
PubChem CID29629
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane
SMILESCOCC1(C)COC(C)OC1
InChIInChI=1S/C8H16O3/c1-7-10-5-8(2,4-9-3)6-11-7/h7H,4-6H2,1-3H3
InChIKeyVWPPOYZNPCNBMV-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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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane?
The IUPAC name of 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane (CID 29629) is 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane is COCC1(C)COC(C)OC1.
What is the InChIKey of 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane?
The InChIKey is VWPPOYZNPCNBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7-10-5-8(2,4-9-3)6-11-7/h7H,4-6H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane?
5-(methoxymethyl)-2,5-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 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 29629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).