3-oxidoperoxyperoxyperoxyprop-1-ene

C3H5O7- — CID 58694927

IUPAC3-oxidoperoxyperoxyperoxyprop-1-ene
SMILESC=CCOOOOOO[O-]
InChIInChI=1S/C3H6O7/c1-2-3-5-7-9-10-8-6-4/h2,4H,1,3H2/p-1
InChIKeyVCYKDLHRDKJRAB-UHFFFAOYSA-M
MW153.07 g/mol
LogP-0.88
Rot. Bonds7

About 3-oxidoperoxyperoxyperoxyprop-1-ene

3-oxidoperoxyperoxyperoxyprop-1-ene (PubChem CID 58694927) has the molecular formula C3H5O7- and a molecular weight of 153.07 g/mol. Its IUPAC name is 3-oxidoperoxyperoxyperoxyprop-1-ene.

Molecular Properties

Compound Name3-oxidoperoxyperoxyperoxyprop-1-ene
PubChem CID58694927
Molecular FormulaC3H5O7-
Molecular Weight153.07 g/mol
Exact Mass153.00
IUPAC Name3-oxidoperoxyperoxyperoxyprop-1-ene
SMILESC=CCOOOOOO[O-]
InChIInChI=1S/C3H6O7/c1-2-3-5-7-9-10-8-6-4/h2,4H,1,3H2/p-1
InChIKeyVCYKDLHRDKJRAB-UHFFFAOYSA-M
XLogP-0.88
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.07
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 3-oxidoperoxyperoxyperoxyprop-1-ene?
The IUPAC name of 3-oxidoperoxyperoxyperoxyprop-1-ene (CID 58694927) is 3-oxidoperoxyperoxyperoxyprop-1-ene.
What is the SMILES notation for 3-oxidoperoxyperoxyperoxyprop-1-ene?
The canonical SMILES for 3-oxidoperoxyperoxyperoxyprop-1-ene is C=CCOOOOOO[O-].
What is the InChIKey of 3-oxidoperoxyperoxyperoxyprop-1-ene?
The InChIKey is VCYKDLHRDKJRAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O7/c1-2-3-5-7-9-10-8-6-4/h2,4H,1,3H2/p-1.
What are the key properties of 3-oxidoperoxyperoxyperoxyprop-1-ene?
3-oxidoperoxyperoxyperoxyprop-1-ene has a molecular weight of 153.07 g/mol, XLogP of -0.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxidoperoxyperoxyperoxyprop-1-ene is sourced from PubChem (CID 58694927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).