1-cyclohexylperoxycyclohexan-1-ol

C12H22O3 — CID 23374611

IUPAC1-cyclohexylperoxycyclohexan-1-ol
SMILESOC1(OOC2CCCCC2)CCCCC1
InChIInChI=1S/C12H22O3/c13-12(9-5-2-6-10-12)15-14-11-7-3-1-4-8-11/h11,13H,1-10H2
InChIKeyYJKJZLWYMGJNLA-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.92
Rot. Bonds3

About 1-cyclohexylperoxycyclohexan-1-ol

1-cyclohexylperoxycyclohexan-1-ol (PubChem CID 23374611) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-cyclohexylperoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-cyclohexylperoxycyclohexan-1-ol
PubChem CID23374611
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-cyclohexylperoxycyclohexan-1-ol
SMILESOC1(OOC2CCCCC2)CCCCC1
InChIInChI=1S/C12H22O3/c13-12(9-5-2-6-10-12)15-14-11-7-3-1-4-8-11/h11,13H,1-10H2
InChIKeyYJKJZLWYMGJNLA-UHFFFAOYSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclohexylperoxy-1-methylcyclohexane
CID 139640231
(1-hydroxycyclohexyl) hydrogen carbonate
CID 69015905
cyclohexane;hydroperoxycyclohexane
CID 88671084
1-cyclopentyloxycyclohexane-1-carboxylic acid
CID 82236545
1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol
CID 83236504
1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
CID 90449500
1-cyclohexyloxy-1-methylcyclohexane
CID 57243949
(2R,3R)-2,3-dicyclohexyloxybutanedioic acid
CID 90149743
1-cyclobutyloxy-1-cyclopentylperoxy-2-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 141115443
1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol
CID 103451987
cyclohexyloxy nitrate
CID 100959003
cycloheptyl hydrogen carbonate
CID 23179405

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylperoxycyclohexan-1-ol?
The IUPAC name of 1-cyclohexylperoxycyclohexan-1-ol (CID 23374611) is 1-cyclohexylperoxycyclohexan-1-ol.
What is the SMILES notation for 1-cyclohexylperoxycyclohexan-1-ol?
The canonical SMILES for 1-cyclohexylperoxycyclohexan-1-ol is OC1(OOC2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyclohexylperoxycyclohexan-1-ol?
The InChIKey is YJKJZLWYMGJNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c13-12(9-5-2-6-10-12)15-14-11-7-3-1-4-8-11/h11,13H,1-10H2.
What are the key properties of 1-cyclohexylperoxycyclohexan-1-ol?
1-cyclohexylperoxycyclohexan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylperoxycyclohexan-1-ol is sourced from PubChem (CID 23374611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).