oxidoperoxyperoxycyclohexane

C6H11O5- — CID 18339957

IUPACoxidoperoxyperoxycyclohexane
SMILES[O-]OOOOC1CCCCC1
InChIInChI=1S/C6H12O5/c7-9-11-10-8-6-4-2-1-3-5-6/h6-7H,1-5H2/p-1
InChIKeyMJVBRKKVMOYGJG-UHFFFAOYSA-M
MW163.15 g/mol
LogP0.41
Rot. Bonds4

About oxidoperoxyperoxycyclohexane

oxidoperoxyperoxycyclohexane (PubChem CID 18339957) has the molecular formula C6H11O5- and a molecular weight of 163.15 g/mol. Its IUPAC name is oxidoperoxyperoxycyclohexane.

Molecular Properties

Compound Nameoxidoperoxyperoxycyclohexane
PubChem CID18339957
Molecular FormulaC6H11O5-
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Nameoxidoperoxyperoxycyclohexane
SMILES[O-]OOOOC1CCCCC1
InChIInChI=1S/C6H12O5/c7-9-11-10-8-6-4-2-1-3-5-6/h6-7H,1-5H2/p-1
InChIKeyMJVBRKKVMOYGJG-UHFFFAOYSA-M
XLogP0.41
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

copper cyclohexylperoxy(dioxido)borane
CID 161435143
cyclohexyloxy nitrate
CID 100959003
1-cyclohexylperoxy-1-methylcyclohexane
CID 139640231
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
methoxycyclooctane
CID 551195
CID 172763471
CID 172763471
silyloxycyclohexane
CID 19892694
CID 173424592
CID 173424592
cyclohexane;hydroperoxycyclohexane
CID 88671084
di(cyclooctyl)-dicyclopentyloxysilane
CID 142301960
antimony(3+);tris(dicyclohexyl phosphite)
CID 23464194

Frequently Asked Questions

What is the IUPAC name of oxidoperoxyperoxycyclohexane?
The IUPAC name of oxidoperoxyperoxycyclohexane (CID 18339957) is oxidoperoxyperoxycyclohexane.
What is the SMILES notation for oxidoperoxyperoxycyclohexane?
The canonical SMILES for oxidoperoxyperoxycyclohexane is [O-]OOOOC1CCCCC1.
What is the InChIKey of oxidoperoxyperoxycyclohexane?
The InChIKey is MJVBRKKVMOYGJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O5/c7-9-11-10-8-6-4-2-1-3-5-6/h6-7H,1-5H2/p-1.
What are the key properties of oxidoperoxyperoxycyclohexane?
oxidoperoxyperoxycyclohexane has a molecular weight of 163.15 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxidoperoxyperoxycyclohexane is sourced from PubChem (CID 18339957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).