[(2R)-2-hydroperoxyhexan-2-yl]benzene

C12H18O2 — CID 102075199

IUPAC[(2R)-2-hydroperoxyhexan-2-yl]benzene
SMILESCCCC[C@@](C)(OO)c1ccccc1
InChIInChI=1S/C12H18O2/c1-3-4-10-12(2,14-13)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3/t12-/m1/s1
InChIKeyRUAZOMWHGIFENR-GFCCVEGCSA-N
MW194.27 g/mol
LogP3.58
Rot. Bonds5

About [(2R)-2-hydroperoxyhexan-2-yl]benzene

[(2R)-2-hydroperoxyhexan-2-yl]benzene (PubChem CID 102075199) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [(2R)-2-hydroperoxyhexan-2-yl]benzene.

Molecular Properties

Compound Name[(2R)-2-hydroperoxyhexan-2-yl]benzene
PubChem CID102075199
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[(2R)-2-hydroperoxyhexan-2-yl]benzene
SMILESCCCC[C@@](C)(OO)c1ccccc1
InChIInChI=1S/C12H18O2/c1-3-4-10-12(2,14-13)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3/t12-/m1/s1
InChIKeyRUAZOMWHGIFENR-GFCCVEGCSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.58
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

2-hydroperoxybutan-2-ylbenzene
CID 15510207
2-phenylheptan-2-yloxysilane
CID 173162133
dihydroxy-(2-phenyltetradecan-2-yloxy)-sulfanylidene-λ5-phosphane
CID 57312290
(2S)-2-phenylhexan-2-amine
CID 10889241
[(3S)-2,2,3-trimethylheptan-3-yl]benzene
CID 158389582
(3,3-dimethyl-2-phenylheptan-2-yl)benzene
CID 139749587
tert-butylbenzene;hexane
CID 175254424
(2-methyl-2-phenylhexanoyl) 2-methyl-2-phenylhexaneperoxoate
CID 141354518
1,1-diphenylpentan-1-amine
CID 10263654
2-phenylpentan-2-yloxysilane
CID 123717994
2-butyl-2-phenylpropane-1,3-diol
CID 79449681
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroperoxyhexan-2-yl]benzene?
The IUPAC name of [(2R)-2-hydroperoxyhexan-2-yl]benzene (CID 102075199) is [(2R)-2-hydroperoxyhexan-2-yl]benzene.
What is the SMILES notation for [(2R)-2-hydroperoxyhexan-2-yl]benzene?
The canonical SMILES for [(2R)-2-hydroperoxyhexan-2-yl]benzene is CCCC[C@@](C)(OO)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroperoxyhexan-2-yl]benzene?
The InChIKey is RUAZOMWHGIFENR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-4-10-12(2,14-13)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-2-hydroperoxyhexan-2-yl]benzene?
[(2R)-2-hydroperoxyhexan-2-yl]benzene has a molecular weight of 194.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroperoxyhexan-2-yl]benzene is sourced from PubChem (CID 102075199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).