dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

C18H22Cl2O2Zn — CID 174507938

IUPACdichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.Cl[Zn]Cl
InChIInChI=1S/C18H22O2.2ClH.Zn/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;;;/h5-14H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyINMDQMKFXAIBPA-UHFFFAOYSA-L
MW406.67 g/mol
LogP6.18
Rot. Bonds5

About dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (PubChem CID 174507938) has the molecular formula C18H22Cl2O2Zn and a molecular weight of 406.67 g/mol. Its IUPAC name is dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.

Molecular Properties

Compound Namedichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
PubChem CID174507938
Molecular FormulaC18H22Cl2O2Zn
Molecular Weight406.67 g/mol
Exact Mass404.03
IUPAC Namedichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.Cl[Zn]Cl
InChIInChI=1S/C18H22O2.2ClH.Zn/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;;;/h5-14H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyINMDQMKFXAIBPA-UHFFFAOYSA-L
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.67
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174748033
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
2-ethylperoxypropan-2-ylbenzene
CID 14923166
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
CID 54518129
2-but-3-en-2-ylperoxypropan-2-ylbenzene
CID 23166979
diphenyl(2-phenylpropan-2-ylperoxy)silane
CID 173375091
zinc;bis(2-methylprop-2-enoate);2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175350674
2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene
CID 163671526

Frequently Asked Questions

What is the IUPAC name of dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The IUPAC name of dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (CID 174507938) is dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.
What is the SMILES notation for dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The canonical SMILES for dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The InChIKey is INMDQMKFXAIBPA-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H22O2.2ClH.Zn/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;;;/h5-14H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene has a molecular weight of 406.67 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is sourced from PubChem (CID 174507938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).