oxidooxyperoxycyclopentane

C5H9O4- — CID 18339935

IUPACoxidooxyperoxycyclopentane
SMILES[O-]OOOC1CCCC1
InChIInChI=1S/C5H10O4/c6-8-9-7-5-3-1-2-4-5/h5-6H,1-4H2/p-1
InChIKeyHWZQJRSVRBKAQQ-UHFFFAOYSA-M
MW133.12 g/mol
LogP0.08
Rot. Bonds3

About oxidooxyperoxycyclopentane

oxidooxyperoxycyclopentane (PubChem CID 18339935) has the molecular formula C5H9O4- and a molecular weight of 133.12 g/mol. Its IUPAC name is oxidooxyperoxycyclopentane.

Molecular Properties

Compound Nameoxidooxyperoxycyclopentane
PubChem CID18339935
Molecular FormulaC5H9O4-
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Nameoxidooxyperoxycyclopentane
SMILES[O-]OOOC1CCCC1
InChIInChI=1S/C5H10O4/c6-8-9-7-5-3-1-2-4-5/h5-6H,1-4H2/p-1
InChIKeyHWZQJRSVRBKAQQ-UHFFFAOYSA-M
XLogP0.08
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 oxidooxyperoxycyclopentane?
The IUPAC name of oxidooxyperoxycyclopentane (CID 18339935) is oxidooxyperoxycyclopentane.
What is the SMILES notation for oxidooxyperoxycyclopentane?
The canonical SMILES for oxidooxyperoxycyclopentane is [O-]OOOC1CCCC1.
What is the InChIKey of oxidooxyperoxycyclopentane?
The InChIKey is HWZQJRSVRBKAQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O4/c6-8-9-7-5-3-1-2-4-5/h5-6H,1-4H2/p-1.
What are the key properties of oxidooxyperoxycyclopentane?
oxidooxyperoxycyclopentane has a molecular weight of 133.12 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxidooxyperoxycyclopentane is sourced from PubChem (CID 18339935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).