1-cyclohexylperoxy-1-methylcyclohexane

C13H24O2 — CID 139640231

IUPAC1-cyclohexylperoxy-1-methylcyclohexane
SMILESCC1(OOC2CCCCC2)CCCCC1
InChIInChI=1S/C13H24O2/c1-13(10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h12H,2-11H2,1H3
InChIKeyMOITVWVKXFVTMF-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.99
Rot. Bonds3

About 1-cyclohexylperoxy-1-methylcyclohexane

1-cyclohexylperoxy-1-methylcyclohexane (PubChem CID 139640231) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-cyclohexylperoxy-1-methylcyclohexane.

Molecular Properties

Compound Name1-cyclohexylperoxy-1-methylcyclohexane
PubChem CID139640231
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-cyclohexylperoxy-1-methylcyclohexane
SMILESCC1(OOC2CCCCC2)CCCCC1
InChIInChI=1S/C13H24O2/c1-13(10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h12H,2-11H2,1H3
InChIKeyMOITVWVKXFVTMF-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
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

1-cyclohexyloxy-1-methylcyclohexane
CID 57243949
1-cyclohexylperoxycyclohexan-1-ol
CID 23374611
1-methoxy-1-methylcyclononane
CID 123479365
1-methoxy-1-methylcyclodecane
CID 23154687
1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 141115443
oxidoperoxyperoxycyclohexane
CID 18339957
bis(1-methylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386864
2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 67386865
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
2-cyclohexyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11984021
1-cyclopentyloxycyclohexane-1-carboxylic acid
CID 82236545

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylperoxy-1-methylcyclohexane?
The IUPAC name of 1-cyclohexylperoxy-1-methylcyclohexane (CID 139640231) is 1-cyclohexylperoxy-1-methylcyclohexane.
What is the SMILES notation for 1-cyclohexylperoxy-1-methylcyclohexane?
The canonical SMILES for 1-cyclohexylperoxy-1-methylcyclohexane is CC1(OOC2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyclohexylperoxy-1-methylcyclohexane?
The InChIKey is MOITVWVKXFVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-13(10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h12H,2-11H2,1H3.
What are the key properties of 1-cyclohexylperoxy-1-methylcyclohexane?
1-cyclohexylperoxy-1-methylcyclohexane has a molecular weight of 212.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylperoxy-1-methylcyclohexane is sourced from PubChem (CID 139640231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).