1-hydroperoxy-1-methylperoxycyclododecane

C13H26O4 — CID 11118348

IUPAC1-hydroperoxy-1-methylperoxycyclododecane
SMILESCOOC1(OO)CCCCCCCCCCC1
InChIInChI=1S/C13H26O4/c1-15-17-13(16-14)11-9-7-5-3-2-4-6-8-10-12-13/h14H,2-12H2,1H3
InChIKeyJLCJIPKRGJIRKX-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.05
Rot. Bonds3

About 1-hydroperoxy-1-methylperoxycyclododecane

1-hydroperoxy-1-methylperoxycyclododecane (PubChem CID 11118348) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-hydroperoxy-1-methylperoxycyclododecane.

Molecular Properties

Compound Name1-hydroperoxy-1-methylperoxycyclododecane
PubChem CID11118348
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name1-hydroperoxy-1-methylperoxycyclododecane
SMILESCOOC1(OO)CCCCCCCCCCC1
InChIInChI=1S/C13H26O4/c1-15-17-13(16-14)11-9-7-5-3-2-4-6-8-10-12-13/h14H,2-12H2,1H3
InChIKeyJLCJIPKRGJIRKX-UHFFFAOYSA-N
XLogP4.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-hydroperoxycyclopentyl)peroxycyclopentane
CID 12551189
1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
CID 10726344
3-(1-methylperoxycyclododecyl)peroxypropanoic acid
CID 11834121
1-but-3-enylperoxy-1-methylperoxycycloundecane
CID 154714640
1,1,4,4-tetrahydroperoxycyclohexane;hydrate
CID 139186419
1-methoxy-1-oxidooxycyclohexane
CID 102414242
1-tert-butylperoxy-1-methoxycyclohexane
CID 14573035
1-hydroperoxy-1-(5-methylhex-5-enoxy)cyclohexane
CID 10680878
1,1-bis(tert-butylperoxy)cyclododecane
CID 14949973
O-(1-aminoperoxycyclohexyl)oxyhydroxylamine
CID 163968374
1,4-dihydroperoxy-1,4-dimethylcyclohexane
CID 141414121
1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane;1-(1-hydroperoxycyclohexyl)peroxycyclohexan-1-ol
CID 174876592

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-1-methylperoxycyclododecane?
The IUPAC name of 1-hydroperoxy-1-methylperoxycyclododecane (CID 11118348) is 1-hydroperoxy-1-methylperoxycyclododecane.
What is the SMILES notation for 1-hydroperoxy-1-methylperoxycyclododecane?
The canonical SMILES for 1-hydroperoxy-1-methylperoxycyclododecane is COOC1(OO)CCCCCCCCCCC1.
What is the InChIKey of 1-hydroperoxy-1-methylperoxycyclododecane?
The InChIKey is JLCJIPKRGJIRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-15-17-13(16-14)11-9-7-5-3-2-4-6-8-10-12-13/h14H,2-12H2,1H3.
What are the key properties of 1-hydroperoxy-1-methylperoxycyclododecane?
1-hydroperoxy-1-methylperoxycyclododecane has a molecular weight of 246.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-1-methylperoxycyclododecane is sourced from PubChem (CID 11118348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).