4-(2-methylpropoxy)-1,3-dioxane

C8H16O3 — CID 150506704

IUPAC4-(2-methylpropoxy)-1,3-dioxane
SMILESCC(C)COC1CCOCO1
InChIInChI=1S/C8H16O3/c1-7(2)5-10-8-3-4-9-6-11-8/h7-8H,3-6H2,1-2H3
InChIKeyHYYYUXKTPOALFP-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.38
Rot. Bonds3

About 4-(2-methylpropoxy)-1,3-dioxane

4-(2-methylpropoxy)-1,3-dioxane (PubChem CID 150506704) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1,3-dioxane.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1,3-dioxane
PubChem CID150506704
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-(2-methylpropoxy)-1,3-dioxane
SMILESCC(C)COC1CCOCO1
InChIInChI=1S/C8H16O3/c1-7(2)5-10-8-3-4-9-6-11-8/h7-8H,3-6H2,1-2H3
InChIKeyHYYYUXKTPOALFP-UHFFFAOYSA-N
XLogP1.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1,3-dioxane?
The IUPAC name of 4-(2-methylpropoxy)-1,3-dioxane (CID 150506704) is 4-(2-methylpropoxy)-1,3-dioxane.
What is the SMILES notation for 4-(2-methylpropoxy)-1,3-dioxane?
The canonical SMILES for 4-(2-methylpropoxy)-1,3-dioxane is CC(C)COC1CCOCO1.
What is the InChIKey of 4-(2-methylpropoxy)-1,3-dioxane?
The InChIKey is HYYYUXKTPOALFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(2)5-10-8-3-4-9-6-11-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylpropoxy)-1,3-dioxane?
4-(2-methylpropoxy)-1,3-dioxane has a molecular weight of 160.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1,3-dioxane is sourced from PubChem (CID 150506704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).