formaldehyde;2,4,6-trimethyl-1,3,5-trioxane

C7H14O4 — CID 68622312

IUPACformaldehyde;2,4,6-trimethyl-1,3,5-trioxane
SMILESC=O.CC1OC(C)OC(C)O1
InChIInChI=1S/C6H12O3.CH2O/c1-4-7-5(2)9-6(3)8-4;1-2/h4-6H,1-3H3;1H2
InChIKeyDSPHXJOPRKTKHS-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.90
Rot. Bonds

About formaldehyde;2,4,6-trimethyl-1,3,5-trioxane

formaldehyde;2,4,6-trimethyl-1,3,5-trioxane (PubChem CID 68622312) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is formaldehyde;2,4,6-trimethyl-1,3,5-trioxane.

Molecular Properties

Compound Nameformaldehyde;2,4,6-trimethyl-1,3,5-trioxane
PubChem CID68622312
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Nameformaldehyde;2,4,6-trimethyl-1,3,5-trioxane
SMILESC=O.CC1OC(C)OC(C)O1
InChIInChI=1S/C6H12O3.CH2O/c1-4-7-5(2)9-6(3)8-4;1-2/h4-6H,1-3H3;1H2
InChIKeyDSPHXJOPRKTKHS-UHFFFAOYSA-N
XLogP0.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;2,4,6-trimethyl-1,3,5-trioxane?
The IUPAC name of formaldehyde;2,4,6-trimethyl-1,3,5-trioxane (CID 68622312) is formaldehyde;2,4,6-trimethyl-1,3,5-trioxane.
What is the SMILES notation for formaldehyde;2,4,6-trimethyl-1,3,5-trioxane?
The canonical SMILES for formaldehyde;2,4,6-trimethyl-1,3,5-trioxane is C=O.CC1OC(C)OC(C)O1.
What is the InChIKey of formaldehyde;2,4,6-trimethyl-1,3,5-trioxane?
The InChIKey is DSPHXJOPRKTKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.CH2O/c1-4-7-5(2)9-6(3)8-4;1-2/h4-6H,1-3H3;1H2.
What are the key properties of formaldehyde;2,4,6-trimethyl-1,3,5-trioxane?
formaldehyde;2,4,6-trimethyl-1,3,5-trioxane has a molecular weight of 162.18 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2,4,6-trimethyl-1,3,5-trioxane is sourced from PubChem (CID 68622312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).