2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene

C20H36O2 — CID 162101368

IUPAC2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
SMILESCC(C)(C)OOC(C)(C)C.CCCc1ccccc1CCC
InChIInChI=1S/C12H18.C8H18O2/c1-3-7-11-9-5-6-10-12(11)8-4-2;1-7(2,3)9-10-8(4,5)6/h5-6,9-10H,3-4,7-8H2,1-2H3;1-6H3
InChIKeyZEXSZOGMPWJIRV-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.12
Rot. Bonds5

About 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene

2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene (PubChem CID 162101368) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
PubChem CID162101368
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
SMILESCC(C)(C)OOC(C)(C)C.CCCc1ccccc1CCC
InChIInChI=1S/C12H18.C8H18O2/c1-3-7-11-9-5-6-10-12(11)8-4-2;1-7(2,3)9-10-8(4,5)6/h5-6,9-10H,3-4,7-8H2,1-2H3;1-6H3
InChIKeyZEXSZOGMPWJIRV-UHFFFAOYSA-N
XLogP6.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.12
H-Bond Donors ≤ 50
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-tert-butylperoxy-2-methylpropane;propylbenzene
CID 161368521
tert-butyl 2-propylbenzenecarboperoxoate
CID 175022160
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
ethane;(2-propylphenyl)methanethiol
CID 142320785
1-prop-2-enyl-2-propylbenzene
CID 12585186
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
2-(2-propylphenyl)acetic acid
CID 46897017
tert-butyl-dimethyl-(2-propylphenoxy)silane
CID 11196040
2-(2-propylphenyl)butane-2,3-diamine
CID 54378770
bis(2-propylphenyl) carbonate
CID 66781525
1-but-2-enyl-2-propylbenzene
CID 139617865
1-hept-3-enyl-2-propylbenzene
CID 91473483

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene (CID 162101368) is 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene is CC(C)(C)OOC(C)(C)C.CCCc1ccccc1CCC.
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene?
The InChIKey is ZEXSZOGMPWJIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C8H18O2/c1-3-7-11-9-5-6-10-12(11)8-4-2;1-7(2,3)9-10-8(4,5)6/h5-6,9-10H,3-4,7-8H2,1-2H3;1-6H3.
What are the key properties of 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene?
2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene has a molecular weight of 308.51 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene is sourced from PubChem (CID 162101368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).