5-methoxy-2-propan-2-yl-1,3-dioxane

C8H16O3 — CID 45096111

IUPAC5-methoxy-2-propan-2-yl-1,3-dioxane
SMILESCOC1COC(C(C)C)OC1
InChIInChI=1S/C8H16O3/c1-6(2)8-10-4-7(9-3)5-11-8/h6-8H,4-5H2,1-3H3
InChIKeyAUTMNHMCKUWMLE-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.03
Rot. Bonds2

About 5-methoxy-2-propan-2-yl-1,3-dioxane

5-methoxy-2-propan-2-yl-1,3-dioxane (PubChem CID 45096111) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-methoxy-2-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-methoxy-2-propan-2-yl-1,3-dioxane
PubChem CID45096111
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-methoxy-2-propan-2-yl-1,3-dioxane
SMILESCOC1COC(C(C)C)OC1
InChIInChI=1S/C8H16O3/c1-6(2)8-10-4-7(9-3)5-11-8/h6-8H,4-5H2,1-3H3
InChIKeyAUTMNHMCKUWMLE-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-methoxy-2-propan-2-yl-1,3-dioxane?
The IUPAC name of 5-methoxy-2-propan-2-yl-1,3-dioxane (CID 45096111) is 5-methoxy-2-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 5-methoxy-2-propan-2-yl-1,3-dioxane?
The canonical SMILES for 5-methoxy-2-propan-2-yl-1,3-dioxane is COC1COC(C(C)C)OC1.
What is the InChIKey of 5-methoxy-2-propan-2-yl-1,3-dioxane?
The InChIKey is AUTMNHMCKUWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)8-10-4-7(9-3)5-11-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-methoxy-2-propan-2-yl-1,3-dioxane?
5-methoxy-2-propan-2-yl-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-methoxy-2-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 45096111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).