3-hydroperoxycyclopentene

C5H8O2 — CID 10909498

IUPAC3-hydroperoxycyclopentene
SMILESOOC1C=CCC1
InChIInChI=1S/C5H8O2/c6-7-5-3-1-2-4-5/h1,3,5-6H,2,4H2
InChIKeyQWDSLCBTTDEDEE-UHFFFAOYSA-N
MW100.12 g/mol
LogP1.19
Rot. Bonds1

About 3-hydroperoxycyclopentene

3-hydroperoxycyclopentene (PubChem CID 10909498) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-hydroperoxycyclopentene.

Molecular Properties

Compound Name3-hydroperoxycyclopentene
PubChem CID10909498
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3-hydroperoxycyclopentene
SMILESOOC1C=CCC1
InChIInChI=1S/C5H8O2/c6-7-5-3-1-2-4-5/h1,3,5-6H,2,4H2
InChIKeyQWDSLCBTTDEDEE-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(1Z)-3-hydroperoxycyclodecene
CID 10397221
(1Z,3Z)-5,8-dihydroperoxycycloocta-1,3-diene
CID 12538215
[(1R)-cyclopent-2-en-1-yl]oxybenzene
CID 135011390
(1S)-cyclopent-2-en-1-ol
CID 11789128
ethyl 2-cyclopent-2-en-1-yloxyacetate
CID 142141236
(6-hydroxycyclooct-2-en-1-yl) carbamate
CID 123921756
[(2E)-6-hydroxycyclooct-2-en-1-yl] formate
CID 155745296
cyclohex-2-en-1-yl hypoiodite
CID 154559496
3-(2-bromo-1-ethoxyethoxy)cyclopentene
CID 11020841
1-cyclohex-2-en-1-yloxyethanol
CID 143838832
[(2E)-6-acetylcyclooct-2-en-1-yl] hydrogen carbonate
CID 90182632
[(1S)-cyclopent-2-en-1-yl]methanediol
CID 134407008

Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxycyclopentene?
The IUPAC name of 3-hydroperoxycyclopentene (CID 10909498) is 3-hydroperoxycyclopentene.
What is the SMILES notation for 3-hydroperoxycyclopentene?
The canonical SMILES for 3-hydroperoxycyclopentene is OOC1C=CCC1.
What is the InChIKey of 3-hydroperoxycyclopentene?
The InChIKey is QWDSLCBTTDEDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-7-5-3-1-2-4-5/h1,3,5-6H,2,4H2.
What are the key properties of 3-hydroperoxycyclopentene?
3-hydroperoxycyclopentene has a molecular weight of 100.12 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxycyclopentene is sourced from PubChem (CID 10909498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).