2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide

C20H38O4 — CID 172680598

IUPAC2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
SMILESCC(C)(C)OOC(C)(C)C.CC(C)c1ccccc1C(C)C.OO
InChIInChI=1S/C12H18.C8H18O2.H2O2/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2,3)9-10-8(4,5)6;1-2/h5-10H,1-4H3;1-6H3;1-2H
InChIKeyAIODAVFYXWWYCZ-UHFFFAOYSA-N
MW342.52 g/mol
LogP6.48
Rot. Bonds3

About 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide

2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide (PubChem CID 172680598) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
PubChem CID172680598
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
SMILESCC(C)(C)OOC(C)(C)C.CC(C)c1ccccc1C(C)C.OO
InChIInChI=1S/C12H18.C8H18O2.H2O2/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2,3)9-10-8(4,5)6;1-2/h5-10H,1-4H3;1-6H3;1-2H
InChIKeyAIODAVFYXWWYCZ-UHFFFAOYSA-N
XLogP6.48
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-tert-butylperoxy-2,3-di(propan-2-yl)benzene;2-tert-butylperoxy-2-methylpropane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174849588
2-tert-butylperoxy-3-propan-2-ylbenzoic acid
CID 154159371
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
(2-tert-butylperoxy-4-methylpentan-2-yl)benzene
CID 54108901
2,6-di(propan-2-yl)phenol;silver
CID 174803720
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
CID 87385719
CID 66991121
CID 66991121
cumene;2-methoxy-2-methylpropane
CID 68666509

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide (CID 172680598) is 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide is CC(C)(C)OOC(C)(C)C.CC(C)c1ccccc1C(C)C.OO.
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide?
The InChIKey is AIODAVFYXWWYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C8H18O2.H2O2/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2,3)9-10-8(4,5)6;1-2/h5-10H,1-4H3;1-6H3;1-2H.
What are the key properties of 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide?
2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide has a molecular weight of 342.52 g/mol, XLogP of 6.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide is sourced from PubChem (CID 172680598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).