hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene

C13H22O2 — CID 23026515

IUPAChydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
SMILESCC(C)(C)C(C)(C)c1ccccc1.OO
InChIInChI=1S/C13H20.H2O2/c1-12(2,3)13(4,5)11-9-7-6-8-10-11;1-2/h6-10H,1-5H3;1-2H
InChIKeyWHZKJGULGPTGIU-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.03
Rot. Bonds1

About hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene

hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene (PubChem CID 23026515) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene.

Molecular Properties

Compound Namehydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
PubChem CID23026515
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namehydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
SMILESCC(C)(C)C(C)(C)c1ccccc1.OO
InChIInChI=1S/C13H20.H2O2/c1-12(2,3)13(4,5)11-9-7-6-8-10-11;1-2/h6-10H,1-5H3;1-2H
InChIKeyWHZKJGULGPTGIU-UHFFFAOYSA-N
XLogP4.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.03
H-Bond Donors ≤ 52
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

2,3,3,4,4-pentamethylpentan-2-ylbenzene
CID 59630443
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
CID 167184164
1-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 141226069
CID 171375456
CID 171375456
2-phenylpropan-2-ylbenzene
CID 13065
(2,2-dimethyl-1,1-diphenylpropyl)benzene;bis(2,2-dimethylpropane)
CID 162197471
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
(1S)-1-methoxy-1-phenylethanol
CID 141414609
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene?
The IUPAC name of hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene (CID 23026515) is hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene.
What is the SMILES notation for hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene?
The canonical SMILES for hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene is CC(C)(C)C(C)(C)c1ccccc1.OO.
What is the InChIKey of hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene?
The InChIKey is WHZKJGULGPTGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.H2O2/c1-12(2,3)13(4,5)11-9-7-6-8-10-11;1-2/h6-10H,1-5H3;1-2H.
What are the key properties of hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene?
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene is sourced from PubChem (CID 23026515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).