ethylperoxycyclopropane

C5H10O2 — CID 142258927

IUPACethylperoxycyclopropane
SMILESCCOOC1CC1
InChIInChI=1S/C5H10O2/c1-2-6-7-5-3-4-5/h5H,2-4H2,1H3
InChIKeyXPIBKGIFHBPWIQ-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.12
Rot. Bonds3

About ethylperoxycyclopropane

ethylperoxycyclopropane (PubChem CID 142258927) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is ethylperoxycyclopropane.

Molecular Properties

Compound Nameethylperoxycyclopropane
PubChem CID142258927
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Nameethylperoxycyclopropane
SMILESCCOOC1CC1
InChIInChI=1S/C5H10O2/c1-2-6-7-5-3-4-5/h5H,2-4H2,1H3
InChIKeyXPIBKGIFHBPWIQ-UHFFFAOYSA-N
XLogP1.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
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 ethylperoxycyclopropane?
The IUPAC name of ethylperoxycyclopropane (CID 142258927) is ethylperoxycyclopropane.
What is the SMILES notation for ethylperoxycyclopropane?
The canonical SMILES for ethylperoxycyclopropane is CCOOC1CC1.
What is the InChIKey of ethylperoxycyclopropane?
The InChIKey is XPIBKGIFHBPWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-2-6-7-5-3-4-5/h5H,2-4H2,1H3.
What are the key properties of ethylperoxycyclopropane?
ethylperoxycyclopropane has a molecular weight of 102.13 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylperoxycyclopropane is sourced from PubChem (CID 142258927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).