formaldehyde;hydron;1,3,5-trioxane

C4H9O4+ — CID 159664170

IUPACformaldehyde;hydron;1,3,5-trioxane
SMILESC1OCOCO1.C=O.[H+]
InChIInChI=1S/C3H6O3.CH2O/c1-4-2-6-3-5-1;1-2/h1-3H2;1H2/p+1
InChIKeyMTEOUEXSJCEDOM-UHFFFAOYSA-O
MW121.11 g/mol
LogP-0.15
Rot. Bonds

About formaldehyde;hydron;1,3,5-trioxane

formaldehyde;hydron;1,3,5-trioxane (PubChem CID 159664170) has the molecular formula C4H9O4+ and a molecular weight of 121.11 g/mol. Its IUPAC name is formaldehyde;hydron;1,3,5-trioxane.

Molecular Properties

Compound Nameformaldehyde;hydron;1,3,5-trioxane
PubChem CID159664170
Molecular FormulaC4H9O4+
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Nameformaldehyde;hydron;1,3,5-trioxane
SMILESC1OCOCO1.C=O.[H+]
InChIInChI=1S/C3H6O3.CH2O/c1-4-2-6-3-5-1;1-2/h1-3H2;1H2/p+1
InChIKeyMTEOUEXSJCEDOM-UHFFFAOYSA-O
XLogP-0.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;hydron;1,3,5-trioxane?
The IUPAC name of formaldehyde;hydron;1,3,5-trioxane (CID 159664170) is formaldehyde;hydron;1,3,5-trioxane.
What is the SMILES notation for formaldehyde;hydron;1,3,5-trioxane?
The canonical SMILES for formaldehyde;hydron;1,3,5-trioxane is C1OCOCO1.C=O.[H+].
What is the InChIKey of formaldehyde;hydron;1,3,5-trioxane?
The InChIKey is MTEOUEXSJCEDOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6O3.CH2O/c1-4-2-6-3-5-1;1-2/h1-3H2;1H2/p+1.
What are the key properties of formaldehyde;hydron;1,3,5-trioxane?
formaldehyde;hydron;1,3,5-trioxane has a molecular weight of 121.11 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;hydron;1,3,5-trioxane is sourced from PubChem (CID 159664170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).