hydroperoxyperoxycyclopropane

C3H6O4 — CID 88543555

IUPAChydroperoxyperoxycyclopropane
SMILESOOOOC1CC1
InChIInChI=1S/C3H6O4/c4-6-7-5-3-1-2-3/h3-4H,1-2H2
InChIKeyITEZMWOGJXRMOP-UHFFFAOYSA-N
MW106.08 g/mol
LogP0.50
Rot. Bonds3

About hydroperoxyperoxycyclopropane

hydroperoxyperoxycyclopropane (PubChem CID 88543555) has the molecular formula C3H6O4 and a molecular weight of 106.08 g/mol. Its IUPAC name is hydroperoxyperoxycyclopropane.

Molecular Properties

Compound Namehydroperoxyperoxycyclopropane
PubChem CID88543555
Molecular FormulaC3H6O4
Molecular Weight106.08 g/mol
Exact Mass106.03
IUPAC Namehydroperoxyperoxycyclopropane
SMILESOOOOC1CC1
InChIInChI=1S/C3H6O4/c4-6-7-5-3-1-2-3/h3-4H,1-2H2
InChIKeyITEZMWOGJXRMOP-UHFFFAOYSA-N
XLogP0.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroperoxyperoxycyclopropane?
The IUPAC name of hydroperoxyperoxycyclopropane (CID 88543555) is hydroperoxyperoxycyclopropane.
What is the SMILES notation for hydroperoxyperoxycyclopropane?
The canonical SMILES for hydroperoxyperoxycyclopropane is OOOOC1CC1.
What is the InChIKey of hydroperoxyperoxycyclopropane?
The InChIKey is ITEZMWOGJXRMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4/c4-6-7-5-3-1-2-3/h3-4H,1-2H2.
What are the key properties of hydroperoxyperoxycyclopropane?
hydroperoxyperoxycyclopropane has a molecular weight of 106.08 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyperoxycyclopropane is sourced from PubChem (CID 88543555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).