hydroperoxycyclopropane

C3H6O2 — CID 91425241

IUPAChydroperoxycyclopropane
SMILESOOC1CC1
InChIInChI=1S/C3H6O2/c4-5-3-1-2-3/h3-4H,1-2H2
InChIKeyCNPQVOBUBUTETD-UHFFFAOYSA-N
MW74.08 g/mol
LogP0.64
Rot. Bonds1

About hydroperoxycyclopropane

hydroperoxycyclopropane (PubChem CID 91425241) has the molecular formula C3H6O2 and a molecular weight of 74.08 g/mol. Its IUPAC name is hydroperoxycyclopropane.

Molecular Properties

Compound Namehydroperoxycyclopropane
PubChem CID91425241
Molecular FormulaC3H6O2
Molecular Weight74.08 g/mol
Exact Mass74.04
IUPAC Namehydroperoxycyclopropane
SMILESOOC1CC1
InChIInChI=1S/C3H6O2/c4-5-3-1-2-3/h3-4H,1-2H2
InChIKeyCNPQVOBUBUTETD-UHFFFAOYSA-N
XLogP0.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 hydroperoxycyclopropane?
The IUPAC name of hydroperoxycyclopropane (CID 91425241) is hydroperoxycyclopropane.
What is the SMILES notation for hydroperoxycyclopropane?
The canonical SMILES for hydroperoxycyclopropane is OOC1CC1.
What is the InChIKey of hydroperoxycyclopropane?
The InChIKey is CNPQVOBUBUTETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2/c4-5-3-1-2-3/h3-4H,1-2H2.
What are the key properties of hydroperoxycyclopropane?
hydroperoxycyclopropane has a molecular weight of 74.08 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxycyclopropane is sourced from PubChem (CID 91425241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).