trioxidanylperoxyperoxycyclopropane

C3H6O7 — CID 87431809

IUPACtrioxidanylperoxyperoxycyclopropane
SMILESOOOOOOOC1CC1
InChIInChI=1S/C3H6O7/c4-6-8-10-9-7-5-3-1-2-3/h3-4H,1-2H2
InChIKeyGSKOWEQRPIRGSC-UHFFFAOYSA-N
MW154.07 g/mol
LogP0.30
Rot. Bonds6

About trioxidanylperoxyperoxycyclopropane

trioxidanylperoxyperoxycyclopropane (PubChem CID 87431809) has the molecular formula C3H6O7 and a molecular weight of 154.07 g/mol. Its IUPAC name is trioxidanylperoxyperoxycyclopropane.

Molecular Properties

Compound Nametrioxidanylperoxyperoxycyclopropane
PubChem CID87431809
Molecular FormulaC3H6O7
Molecular Weight154.07 g/mol
Exact Mass154.01
IUPAC Nametrioxidanylperoxyperoxycyclopropane
SMILESOOOOOOOC1CC1
InChIInChI=1S/C3H6O7/c4-6-8-10-9-7-5-3-1-2-3/h3-4H,1-2H2
InChIKeyGSKOWEQRPIRGSC-UHFFFAOYSA-N
XLogP0.30
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.07
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 trioxidanylperoxyperoxycyclopropane?
The IUPAC name of trioxidanylperoxyperoxycyclopropane (CID 87431809) is trioxidanylperoxyperoxycyclopropane.
What is the SMILES notation for trioxidanylperoxyperoxycyclopropane?
The canonical SMILES for trioxidanylperoxyperoxycyclopropane is OOOOOOOC1CC1.
What is the InChIKey of trioxidanylperoxyperoxycyclopropane?
The InChIKey is GSKOWEQRPIRGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O7/c4-6-8-10-9-7-5-3-1-2-3/h3-4H,1-2H2.
What are the key properties of trioxidanylperoxyperoxycyclopropane?
trioxidanylperoxyperoxycyclopropane has a molecular weight of 154.07 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trioxidanylperoxyperoxycyclopropane is sourced from PubChem (CID 87431809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).