hydroperoxyperoxyperoxy formate

CH2O8 — CID 23393512

IUPAChydroperoxyperoxyperoxy formate
SMILESO=COOOOOOO
InChIInChI=1S/CH2O8/c2-1-4-6-8-9-7-5-3/h1,3H
InChIKeyGOKOZWHQGDTXEK-UHFFFAOYSA-N
MW142.02 g/mol
LogP-0.71
Rot. Bonds6

About hydroperoxyperoxyperoxy formate

hydroperoxyperoxyperoxy formate (PubChem CID 23393512) has the molecular formula CH2O8 and a molecular weight of 142.02 g/mol. Its IUPAC name is hydroperoxyperoxyperoxy formate.

Molecular Properties

Compound Namehydroperoxyperoxyperoxy formate
PubChem CID23393512
Molecular FormulaCH2O8
Molecular Weight142.02 g/mol
Exact Mass141.97
IUPAC Namehydroperoxyperoxyperoxy formate
SMILESO=COOOOOOO
InChIInChI=1S/CH2O8/c2-1-4-6-8-9-7-5-3/h1,3H
InChIKeyGOKOZWHQGDTXEK-UHFFFAOYSA-N
XLogP-0.71
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.02
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze hydroperoxyperoxyperoxy formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroperoxyperoxyperoxy formate?
The IUPAC name of hydroperoxyperoxyperoxy formate (CID 23393512) is hydroperoxyperoxyperoxy formate.
What is the SMILES notation for hydroperoxyperoxyperoxy formate?
The canonical SMILES for hydroperoxyperoxyperoxy formate is O=COOOOOOO.
What is the InChIKey of hydroperoxyperoxyperoxy formate?
The InChIKey is GOKOZWHQGDTXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O8/c2-1-4-6-8-9-7-5-3/h1,3H.
What are the key properties of hydroperoxyperoxyperoxy formate?
hydroperoxyperoxyperoxy formate has a molecular weight of 142.02 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyperoxyperoxy formate is sourced from PubChem (CID 23393512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).