cyclopropane;peroxyformic acid

C4H8O3 — CID 87410844

IUPACcyclopropane;peroxyformic acid
SMILESC1CC1.O=COO
InChIInChI=1S/C3H6.CH2O3/c1-2-3-1;2-1-4-3/h1-3H2;1,3H
InChIKeyCDVGOXUKNWOODI-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.80
Rot. Bonds1

About cyclopropane;peroxyformic acid

cyclopropane;peroxyformic acid (PubChem CID 87410844) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is cyclopropane;peroxyformic acid.

Molecular Properties

Compound Namecyclopropane;peroxyformic acid
PubChem CID87410844
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Namecyclopropane;peroxyformic acid
SMILESC1CC1.O=COO
InChIInChI=1S/C3H6.CH2O3/c1-2-3-1;2-1-4-3/h1-3H2;1,3H
InChIKeyCDVGOXUKNWOODI-UHFFFAOYSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 cyclopropane;peroxyformic acid?
The IUPAC name of cyclopropane;peroxyformic acid (CID 87410844) is cyclopropane;peroxyformic acid.
What is the SMILES notation for cyclopropane;peroxyformic acid?
The canonical SMILES for cyclopropane;peroxyformic acid is C1CC1.O=COO.
What is the InChIKey of cyclopropane;peroxyformic acid?
The InChIKey is CDVGOXUKNWOODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.CH2O3/c1-2-3-1;2-1-4-3/h1-3H2;1,3H.
What are the key properties of cyclopropane;peroxyformic acid?
cyclopropane;peroxyformic acid has a molecular weight of 104.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;peroxyformic acid is sourced from PubChem (CID 87410844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).