2-propyl-1,3,5-trioxane

C6H12O3 — CID 68769940

IUPAC2-propyl-1,3,5-trioxane
SMILESCCCC1OCOCO1
InChIInChI=1S/C6H12O3/c1-2-3-6-8-4-7-5-9-6/h6H,2-5H2,1H3
InChIKeyGBHROAAGQYOKQL-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.09
Rot. Bonds2

About 2-propyl-1,3,5-trioxane

2-propyl-1,3,5-trioxane (PubChem CID 68769940) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-propyl-1,3,5-trioxane.

Molecular Properties

Compound Name2-propyl-1,3,5-trioxane
PubChem CID68769940
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-propyl-1,3,5-trioxane
SMILESCCCC1OCOCO1
InChIInChI=1S/C6H12O3/c1-2-3-6-8-4-7-5-9-6/h6H,2-5H2,1H3
InChIKeyGBHROAAGQYOKQL-UHFFFAOYSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3,5-trioxane?
The IUPAC name of 2-propyl-1,3,5-trioxane (CID 68769940) is 2-propyl-1,3,5-trioxane.
What is the SMILES notation for 2-propyl-1,3,5-trioxane?
The canonical SMILES for 2-propyl-1,3,5-trioxane is CCCC1OCOCO1.
What is the InChIKey of 2-propyl-1,3,5-trioxane?
The InChIKey is GBHROAAGQYOKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-6-8-4-7-5-9-6/h6H,2-5H2,1H3.
What are the key properties of 2-propyl-1,3,5-trioxane?
2-propyl-1,3,5-trioxane has a molecular weight of 132.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3,5-trioxane is sourced from PubChem (CID 68769940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).