cyclohexane;hydroperoxycyclohexane

C12H24O2 — CID 88671084

IUPACcyclohexane;hydroperoxycyclohexane
SMILESC1CCCCC1.OOC1CCCCC1
InChIInChI=1S/C6H12O2.C6H12/c7-8-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2;1-6H2
InChIKeyLQYKMFJYAYZJGE-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.15
Rot. Bonds1

About cyclohexane;hydroperoxycyclohexane

cyclohexane;hydroperoxycyclohexane (PubChem CID 88671084) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is cyclohexane;hydroperoxycyclohexane.

Molecular Properties

Compound Namecyclohexane;hydroperoxycyclohexane
PubChem CID88671084
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namecyclohexane;hydroperoxycyclohexane
SMILESC1CCCCC1.OOC1CCCCC1
InChIInChI=1S/C6H12O2.C6H12/c7-8-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2;1-6H2
InChIKeyLQYKMFJYAYZJGE-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

hydroperoxycyclopentane;5-oxabicyclo[2.1.1]hexane
CID 20532219
4-hydroperoxycyclohexane-1-carbaldehyde
CID 145418949
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
cyclodecyloxyboronic acid
CID 57131416
methoxycyclooctane
CID 551195
CID 172763471
CID 172763471
silyloxycyclohexane
CID 19892694
CID 173424592
CID 173424592
cycloheptyl hydrogen carbonate
CID 23179405

Frequently Asked Questions

What is the IUPAC name of cyclohexane;hydroperoxycyclohexane?
The IUPAC name of cyclohexane;hydroperoxycyclohexane (CID 88671084) is cyclohexane;hydroperoxycyclohexane.
What is the SMILES notation for cyclohexane;hydroperoxycyclohexane?
The canonical SMILES for cyclohexane;hydroperoxycyclohexane is C1CCCCC1.OOC1CCCCC1.
What is the InChIKey of cyclohexane;hydroperoxycyclohexane?
The InChIKey is LQYKMFJYAYZJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C6H12/c7-8-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h6-7H,1-5H2;1-6H2.
What are the key properties of cyclohexane;hydroperoxycyclohexane?
cyclohexane;hydroperoxycyclohexane has a molecular weight of 200.32 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;hydroperoxycyclohexane is sourced from PubChem (CID 88671084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).