hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane

C10H18O3 — CID 20532219

IUPAChydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane
SMILESC1CC2CC1O2.OOC1CCCC1
InChIInChI=1S/C5H10O2.C5H8O/c6-7-5-3-1-2-4-5;1-2-5-3-4(1)6-5/h5-6H,1-4H2;4-5H,1-3H2
InChIKeyJHHBWMUFZWALLR-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.36
Rot. Bonds1

About hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane

hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane (PubChem CID 20532219) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane.

Molecular Properties

Compound Namehydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane
PubChem CID20532219
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namehydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane
SMILESC1CC2CC1O2.OOC1CCCC1
InChIInChI=1S/C5H10O2.C5H8O/c6-7-5-3-1-2-4-5;1-2-5-3-4(1)6-5/h5-6H,1-4H2;4-5H,1-3H2
InChIKeyJHHBWMUFZWALLR-UHFFFAOYSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;hydroperoxycyclohexane
CID 88671084
10-oxabicyclo[5.2.1]decane
CID 118210101
(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane
CID 155450472
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
2-oxa-11-azatricyclo[10.7.1.13,10]henicosane
CID 137426796
CID 172763471
CID 172763471
3-hydroperoxy-8-azabicyclo[3.2.1]octane
CID 88926780
1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 104752985
10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane
CID 134213203
4-hydroperoxycyclohexane-1-carbaldehyde
CID 145418949
4,4-difluoro-9-oxabicyclo[4.2.1]nonan-3-ol
CID 171936922
9-oxabicyclo[3.3.1]nonan-3-ylmethyl methanesulfonate
CID 535303

Frequently Asked Questions

What is the IUPAC name of hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane?
The IUPAC name of hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane (CID 20532219) is hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane.
What is the SMILES notation for hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane?
The canonical SMILES for hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane is C1CC2CC1O2.OOC1CCCC1.
What is the InChIKey of hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane?
The InChIKey is JHHBWMUFZWALLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C5H8O/c6-7-5-3-1-2-4-5;1-2-5-3-4(1)6-5/h5-6H,1-4H2;4-5H,1-3H2.
What are the key properties of hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane?
hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane has a molecular weight of 186.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane is sourced from PubChem (CID 20532219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).