2-oxidooxyperoxyperoxypropane

C3H7O6- — CID 18339915

IUPAC2-oxidooxyperoxyperoxypropane
SMILESCC(C)OOOOO[O-]
InChIInChI=1S/C3H8O6/c1-3(2)5-7-9-8-6-4/h3-4H,1-2H3/p-1
InChIKeyJIHCSQGYSHGVHW-UHFFFAOYSA-M
MW139.08 g/mol
LogP-0.59
Rot. Bonds5

About 2-oxidooxyperoxyperoxypropane

2-oxidooxyperoxyperoxypropane (PubChem CID 18339915) has the molecular formula C3H7O6- and a molecular weight of 139.08 g/mol. Its IUPAC name is 2-oxidooxyperoxyperoxypropane.

Molecular Properties

Compound Name2-oxidooxyperoxyperoxypropane
PubChem CID18339915
Molecular FormulaC3H7O6-
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name2-oxidooxyperoxyperoxypropane
SMILESCC(C)OOOOO[O-]
InChIInChI=1S/C3H8O6/c1-3(2)5-7-9-8-6-4/h3-4H,1-2H3/p-1
InChIKeyJIHCSQGYSHGVHW-UHFFFAOYSA-M
XLogP-0.59
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(trioxidanylperoxyperoxy)propane
CID 87536389
CID 172703718
CID 172703718
2-methyl-2-propan-2-yloxyperoxypropane
CID 140575984
carbonic acid;2-propan-2-ylperoxypropane
CID 87099800
CID 173018185
CID 173018185
oxido-oxidooxyperoxyperoxy-oxo-sulfanylidene-λ6-sulfane
CID 58846487
tetrakis(1-methoxyethanolate);tin(4+)
CID 160720785
CID 158878938
CID 158878938
europium(3+);tris(1-methoxyethanolate)
CID 161192952
2-methyl-1-propan-2-ylperoxypropane
CID 123988980
potassium;hydride;tripropan-2-yloxy borate
CID 175575805
1-(1-hydroxyethoxyperoxy)ethanol
CID 87454274

Frequently Asked Questions

What is the IUPAC name of 2-oxidooxyperoxyperoxypropane?
The IUPAC name of 2-oxidooxyperoxyperoxypropane (CID 18339915) is 2-oxidooxyperoxyperoxypropane.
What is the SMILES notation for 2-oxidooxyperoxyperoxypropane?
The canonical SMILES for 2-oxidooxyperoxyperoxypropane is CC(C)OOOOO[O-].
What is the InChIKey of 2-oxidooxyperoxyperoxypropane?
The InChIKey is JIHCSQGYSHGVHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O6/c1-3(2)5-7-9-8-6-4/h3-4H,1-2H3/p-1.
What are the key properties of 2-oxidooxyperoxyperoxypropane?
2-oxidooxyperoxyperoxypropane has a molecular weight of 139.08 g/mol, XLogP of -0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxidooxyperoxyperoxypropane is sourced from PubChem (CID 18339915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).