bis(propan-2-yl 2-methylpropaneperoxoate);zirconium

C14H28O6Zr — CID 88861451

IUPACbis(propan-2-yl 2-methylpropaneperoxoate);zirconium
SMILESCC(C)OOC(=O)C(C)C.CC(C)OOC(=O)C(C)C.[Zr]
InChIInChI=1S/2C7H14O3.Zr/c2*1-5(2)7(8)10-9-6(3)4;/h2*5-6H,1-4H3;
InChIKeyUVHUPFRVKQFQJG-UHFFFAOYSA-N
MW383.60 g/mol
LogP3.05
Rot. Bonds6

About bis(propan-2-yl 2-methylpropaneperoxoate);zirconium

bis(propan-2-yl 2-methylpropaneperoxoate);zirconium (PubChem CID 88861451) has the molecular formula C14H28O6Zr and a molecular weight of 383.60 g/mol. Its IUPAC name is bis(propan-2-yl 2-methylpropaneperoxoate);zirconium.

Molecular Properties

Compound Namebis(propan-2-yl 2-methylpropaneperoxoate);zirconium
PubChem CID88861451
Molecular FormulaC14H28O6Zr
Molecular Weight383.60 g/mol
Exact Mass382.09
IUPAC Namebis(propan-2-yl 2-methylpropaneperoxoate);zirconium
SMILESCC(C)OOC(=O)C(C)C.CC(C)OOC(=O)C(C)C.[Zr]
InChIInChI=1S/2C7H14O3.Zr/c2*1-5(2)7(8)10-9-6(3)4;/h2*5-6H,1-4H3;
InChIKeyUVHUPFRVKQFQJG-UHFFFAOYSA-N
XLogP3.05
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.60
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-oxo-2-propan-2-ylperoxyacetic acid
CID 151938347
acetyl 2-methylpropaneperoxoate
CID 12601440
carbonic acid;2-propan-2-ylperoxypropane
CID 87099800
2-methylpropyl propan-2-yloxy carbonate
CID 150489292
tert-butyl 2-methylpropaneperoxoate
CID 160633746
propan-2-yl 2,2-dimethylpropaneperoxoate
CID 54308386
bis((2-oxo-2-propan-2-ylperoxyethyl) acetate);titanium
CID 158036087
acetonitrile;propan-2-yloxy hydrogen carbonate
CID 88815827
CID 173197860
CID 173197860
methyl 2-methylpropanoate;titanium
CID 174633551
tetrakis(2-oxopropanoate);bis(propan-2-yl ethaneperoxoate);titanium(4+)
CID 159768300
bis(propan-2-yl 3-oxobutaneperoxoate);titanium
CID 87089765

Frequently Asked Questions

What is the IUPAC name of bis(propan-2-yl 2-methylpropaneperoxoate);zirconium?
The IUPAC name of bis(propan-2-yl 2-methylpropaneperoxoate);zirconium (CID 88861451) is bis(propan-2-yl 2-methylpropaneperoxoate);zirconium.
What is the SMILES notation for bis(propan-2-yl 2-methylpropaneperoxoate);zirconium?
The canonical SMILES for bis(propan-2-yl 2-methylpropaneperoxoate);zirconium is CC(C)OOC(=O)C(C)C.CC(C)OOC(=O)C(C)C.[Zr].
What is the InChIKey of bis(propan-2-yl 2-methylpropaneperoxoate);zirconium?
The InChIKey is UVHUPFRVKQFQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O3.Zr/c2*1-5(2)7(8)10-9-6(3)4;/h2*5-6H,1-4H3;.
What are the key properties of bis(propan-2-yl 2-methylpropaneperoxoate);zirconium?
bis(propan-2-yl 2-methylpropaneperoxoate);zirconium has a molecular weight of 383.60 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-yl 2-methylpropaneperoxoate);zirconium is sourced from PubChem (CID 88861451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).