formaldehyde;bis(trioxane)

C7H14O7 — CID 162075043

IUPACformaldehyde;bis(trioxane)
SMILESC1COOOC1.C1COOOC1.C=O
InChIInChI=1S/2C3H6O3.CH2O/c2*1-2-4-6-5-3-1;1-2/h2*1-3H2;1H2
InChIKeyZBPDGNQKWYVCRM-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.35
Rot. Bonds

About formaldehyde;bis(trioxane)

formaldehyde;bis(trioxane) (PubChem CID 162075043) has the molecular formula C7H14O7 and a molecular weight of 210.18 g/mol. Its IUPAC name is formaldehyde;bis(trioxane).

Molecular Properties

Compound Nameformaldehyde;bis(trioxane)
PubChem CID162075043
Molecular FormulaC7H14O7
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Nameformaldehyde;bis(trioxane)
SMILESC1COOOC1.C1COOOC1.C=O
InChIInChI=1S/2C3H6O3.CH2O/c2*1-2-4-6-5-3-1;1-2/h2*1-3H2;1H2
InChIKeyZBPDGNQKWYVCRM-UHFFFAOYSA-N
XLogP0.35
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(trioxane)?
The IUPAC name of formaldehyde;bis(trioxane) (CID 162075043) is formaldehyde;bis(trioxane).
What is the SMILES notation for formaldehyde;bis(trioxane)?
The canonical SMILES for formaldehyde;bis(trioxane) is C1COOOC1.C1COOOC1.C=O.
What is the InChIKey of formaldehyde;bis(trioxane)?
The InChIKey is ZBPDGNQKWYVCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O3.CH2O/c2*1-2-4-6-5-3-1;1-2/h2*1-3H2;1H2.
What are the key properties of formaldehyde;bis(trioxane)?
formaldehyde;bis(trioxane) has a molecular weight of 210.18 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(trioxane) is sourced from PubChem (CID 162075043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).