1,3,5-trioxane-2,4,6-tricarbaldehyde

C6H6O6 — CID 54209022

IUPAC1,3,5-trioxane-2,4,6-tricarbaldehyde
SMILESO=CC1OC(C=O)OC(C=O)O1
InChIInChI=1S/C6H6O6/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-6H
InChIKeyPUPNDFQMYHQPRQ-UHFFFAOYSA-N
MW174.11 g/mol
LogP-1.38
Rot. Bonds3

About 1,3,5-trioxane-2,4,6-tricarbaldehyde

1,3,5-trioxane-2,4,6-tricarbaldehyde (PubChem CID 54209022) has the molecular formula C6H6O6 and a molecular weight of 174.11 g/mol. Its IUPAC name is 1,3,5-trioxane-2,4,6-tricarbaldehyde.

Molecular Properties

Compound Name1,3,5-trioxane-2,4,6-tricarbaldehyde
PubChem CID54209022
Molecular FormulaC6H6O6
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name1,3,5-trioxane-2,4,6-tricarbaldehyde
SMILESO=CC1OC(C=O)OC(C=O)O1
InChIInChI=1S/C6H6O6/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-6H
InChIKeyPUPNDFQMYHQPRQ-UHFFFAOYSA-N
XLogP-1.38
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trioxane-2,4,6-tricarbaldehyde?
The IUPAC name of 1,3,5-trioxane-2,4,6-tricarbaldehyde (CID 54209022) is 1,3,5-trioxane-2,4,6-tricarbaldehyde.
What is the SMILES notation for 1,3,5-trioxane-2,4,6-tricarbaldehyde?
The canonical SMILES for 1,3,5-trioxane-2,4,6-tricarbaldehyde is O=CC1OC(C=O)OC(C=O)O1.
What is the InChIKey of 1,3,5-trioxane-2,4,6-tricarbaldehyde?
The InChIKey is PUPNDFQMYHQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O6/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-6H.
What are the key properties of 1,3,5-trioxane-2,4,6-tricarbaldehyde?
1,3,5-trioxane-2,4,6-tricarbaldehyde has a molecular weight of 174.11 g/mol, XLogP of -1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trioxane-2,4,6-tricarbaldehyde is sourced from PubChem (CID 54209022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).