1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane

C10H18O6 — CID 12551189

IUPAC1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane
SMILESOOC1(OOC2(OO)CCCC2)CCCC1
InChIInChI=1S/C10H18O6/c11-13-9(5-1-2-6-9)15-16-10(14-12)7-3-4-8-10/h11-12H,1-8H2
InChIKeyBAAACMQPQRHVLA-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.45
Rot. Bonds5

About 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane

1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane (PubChem CID 12551189) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane.

Molecular Properties

Compound Name1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane
PubChem CID12551189
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane
SMILESOOC1(OOC2(OO)CCCC2)CCCC1
InChIInChI=1S/C10H18O6/c11-13-9(5-1-2-6-9)15-16-10(14-12)7-3-4-8-10/h11-12H,1-8H2
InChIKeyBAAACMQPQRHVLA-UHFFFAOYSA-N
XLogP2.45
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-hydroperoxy-1-methylperoxycyclododecane
CID 11118348
1,1,4,4-tetrahydroperoxycyclohexane;hydrate
CID 139186419
1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
CID 10726344
1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane;1-(1-hydroperoxycyclohexyl)peroxycyclohexan-1-ol
CID 174876592
O-(1-aminoperoxycyclohexyl)oxyhydroxylamine
CID 163968374
1-(2,2-dihydroperoxy-1-methylcyclohexyl)peroxy-2,2-dihydroperoxy-1-methylcyclohexane
CID 57354778
1-hydroperoxy-1-(5-methylhex-5-enoxy)cyclohexane
CID 10680878
1-[1-(2,3,3-trimethylbutan-2-ylperoxy)cyclohexyl]peroxycyclohexan-1-ol
CID 139970501
1,1-bis(tert-butylperoxy)cyclododecane
CID 14949973
1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane
CID 153309122
(1-hydroperoxycyclohexyl)-methyldiazene
CID 71366709
1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane
CID 157323257

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane?
The IUPAC name of 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane (CID 12551189) is 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane.
What is the SMILES notation for 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane?
The canonical SMILES for 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane is OOC1(OOC2(OO)CCCC2)CCCC1.
What is the InChIKey of 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane?
The InChIKey is BAAACMQPQRHVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c11-13-9(5-1-2-6-9)15-16-10(14-12)7-3-4-8-10/h11-12H,1-8H2.
What are the key properties of 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane?
1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane has a molecular weight of 234.25 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane is sourced from PubChem (CID 12551189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).