2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane

C18H36O5 — CID 156883339

IUPAC2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane
SMILESCC1CCCC(C)O1.CC1CCOC(C)O1.CC1COC(C)O1
InChIInChI=1S/C7H14O.C6H12O2.C5H10O2/c1-6-4-3-5-7(2)8-6;1-5-3-4-7-6(2)8-5;1-4-3-6-5(2)7-4/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyWVAYBXDMAZVPFK-UHFFFAOYSA-N
MW332.48 g/mol
LogP3.89
Rot. Bonds

About 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane

2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane (PubChem CID 156883339) has the molecular formula C18H36O5 and a molecular weight of 332.48 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane
PubChem CID156883339
Molecular FormulaC18H36O5
Molecular Weight332.48 g/mol
Exact Mass332.26
IUPAC Name2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane
SMILESCC1CCCC(C)O1.CC1CCOC(C)O1.CC1COC(C)O1
InChIInChI=1S/C7H14O.C6H12O2.C5H10O2/c1-6-4-3-5-7(2)8-6;1-5-3-4-7-6(2)8-5;1-4-3-6-5(2)7-4/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyWVAYBXDMAZVPFK-UHFFFAOYSA-N
XLogP3.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane?
The IUPAC name of 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane (CID 156883339) is 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane.
What is the SMILES notation for 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane?
The canonical SMILES for 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane is CC1CCCC(C)O1.CC1CCOC(C)O1.CC1COC(C)O1.
What is the InChIKey of 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane?
The InChIKey is WVAYBXDMAZVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H12O2.C5H10O2/c1-6-4-3-5-7(2)8-6;1-5-3-4-7-6(2)8-5;1-4-3-6-5(2)7-4/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane?
2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane has a molecular weight of 332.48 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane is sourced from PubChem (CID 156883339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).