2,4-dimethyl-6-propoxy-1,3-dioxane

C9H18O3 — CID 89315667

IUPAC2,4-dimethyl-6-propoxy-1,3-dioxane
SMILESCCCOC1CC(C)OC(C)O1
InChIInChI=1S/C9H18O3/c1-4-5-10-9-6-7(2)11-8(3)12-9/h7-9H,4-6H2,1-3H3
InChIKeyJHHMDECZMMFTJN-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.91
Rot. Bonds3

About 2,4-dimethyl-6-propoxy-1,3-dioxane

2,4-dimethyl-6-propoxy-1,3-dioxane (PubChem CID 89315667) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,4-dimethyl-6-propoxy-1,3-dioxane.

Molecular Properties

Compound Name2,4-dimethyl-6-propoxy-1,3-dioxane
PubChem CID89315667
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2,4-dimethyl-6-propoxy-1,3-dioxane
SMILESCCCOC1CC(C)OC(C)O1
InChIInChI=1S/C9H18O3/c1-4-5-10-9-6-7(2)11-8(3)12-9/h7-9H,4-6H2,1-3H3
InChIKeyJHHMDECZMMFTJN-UHFFFAOYSA-N
XLogP1.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-propoxy-1,3-dioxane?
The IUPAC name of 2,4-dimethyl-6-propoxy-1,3-dioxane (CID 89315667) is 2,4-dimethyl-6-propoxy-1,3-dioxane.
What is the SMILES notation for 2,4-dimethyl-6-propoxy-1,3-dioxane?
The canonical SMILES for 2,4-dimethyl-6-propoxy-1,3-dioxane is CCCOC1CC(C)OC(C)O1.
What is the InChIKey of 2,4-dimethyl-6-propoxy-1,3-dioxane?
The InChIKey is JHHMDECZMMFTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-5-10-9-6-7(2)11-8(3)12-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-propoxy-1,3-dioxane?
2,4-dimethyl-6-propoxy-1,3-dioxane has a molecular weight of 174.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-propoxy-1,3-dioxane is sourced from PubChem (CID 89315667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).