2-(trioxidanylperoxyperoxy)propane

C3H8O7 — CID 87536389

IUPAC2-(trioxidanylperoxyperoxy)propane
SMILESCC(C)OOOOOOO
InChIInChI=1S/C3H8O7/c1-3(2)5-7-9-10-8-6-4/h3-4H,1-2H3
InChIKeyCZLSPGRCBUCCBD-UHFFFAOYSA-N
MW156.09 g/mol
LogP0.54
Rot. Bonds6

About 2-(trioxidanylperoxyperoxy)propane

2-(trioxidanylperoxyperoxy)propane (PubChem CID 87536389) has the molecular formula C3H8O7 and a molecular weight of 156.09 g/mol. Its IUPAC name is 2-(trioxidanylperoxyperoxy)propane.

Molecular Properties

Compound Name2-(trioxidanylperoxyperoxy)propane
PubChem CID87536389
Molecular FormulaC3H8O7
Molecular Weight156.09 g/mol
Exact Mass156.03
IUPAC Name2-(trioxidanylperoxyperoxy)propane
SMILESCC(C)OOOOOOO
InChIInChI=1S/C3H8O7/c1-3(2)5-7-9-10-8-6-4/h3-4H,1-2H3
InChIKeyCZLSPGRCBUCCBD-UHFFFAOYSA-N
XLogP0.54
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 50.54
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 2-(trioxidanylperoxyperoxy)propane?
The IUPAC name of 2-(trioxidanylperoxyperoxy)propane (CID 87536389) is 2-(trioxidanylperoxyperoxy)propane.
What is the SMILES notation for 2-(trioxidanylperoxyperoxy)propane?
The canonical SMILES for 2-(trioxidanylperoxyperoxy)propane is CC(C)OOOOOOO.
What is the InChIKey of 2-(trioxidanylperoxyperoxy)propane?
The InChIKey is CZLSPGRCBUCCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O7/c1-3(2)5-7-9-10-8-6-4/h3-4H,1-2H3.
What are the key properties of 2-(trioxidanylperoxyperoxy)propane?
2-(trioxidanylperoxyperoxy)propane has a molecular weight of 156.09 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trioxidanylperoxyperoxy)propane is sourced from PubChem (CID 87536389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).