dihydroperoxy carbonate

CH2O7 — CID 87814109

IUPACdihydroperoxy carbonate
SMILESO=C(OOO)OOO
InChIInChI=1S/CH2O7/c2-1(5-7-3)6-8-4/h3-4H
InChIKeyLHZYNHLHHRQGOX-UHFFFAOYSA-N
MW126.02 g/mol
LogP-0.05
Rot. Bonds2

About dihydroperoxy carbonate

dihydroperoxy carbonate (PubChem CID 87814109) has the molecular formula CH2O7 and a molecular weight of 126.02 g/mol. Its IUPAC name is dihydroperoxy carbonate.

Molecular Properties

Compound Namedihydroperoxy carbonate
PubChem CID87814109
Molecular FormulaCH2O7
Molecular Weight126.02 g/mol
Exact Mass125.98
IUPAC Namedihydroperoxy carbonate
SMILESO=C(OOO)OOO
InChIInChI=1S/CH2O7/c2-1(5-7-3)6-8-4/h3-4H
InChIKeyLHZYNHLHHRQGOX-UHFFFAOYSA-N
XLogP-0.05
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.02
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 dihydroperoxy carbonate?
The IUPAC name of dihydroperoxy carbonate (CID 87814109) is dihydroperoxy carbonate.
What is the SMILES notation for dihydroperoxy carbonate?
The canonical SMILES for dihydroperoxy carbonate is O=C(OOO)OOO.
What is the InChIKey of dihydroperoxy carbonate?
The InChIKey is LHZYNHLHHRQGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O7/c2-1(5-7-3)6-8-4/h3-4H.
What are the key properties of dihydroperoxy carbonate?
dihydroperoxy carbonate has a molecular weight of 126.02 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroperoxy carbonate is sourced from PubChem (CID 87814109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).