titanium;bis(trimethylsilyl 3-oxohexaneperoxoate)

C18H36O8Si2Ti — CID 159049384

IUPACtitanium;bis(trimethylsilyl 3-oxohexaneperoxoate)
SMILESCCCC(=O)CC(=O)OO[Si](C)(C)C.CCCC(=O)CC(=O)OO[Si](C)(C)C.[Ti]
InChIInChI=1S/2C9H18O4Si.Ti/c2*1-5-6-8(10)7-9(11)12-13-14(2,3)4;/h2*5-7H2,1-4H3;
InChIKeyJXBNSQOFGOUMMD-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.11
Rot. Bonds12

About titanium;bis(trimethylsilyl 3-oxohexaneperoxoate)

titanium;bis(trimethylsilyl 3-oxohexaneperoxoate) (PubChem CID 159049384) has the molecular formula C18H36O8Si2Ti and a molecular weight of 484.52 g/mol. Its IUPAC name is titanium;bis(trimethylsilyl 3-oxohexaneperoxoate).

Molecular Properties

Compound Nametitanium;bis(trimethylsilyl 3-oxohexaneperoxoate)
PubChem CID159049384
Molecular FormulaC18H36O8Si2Ti
Molecular Weight484.52 g/mol
Exact Mass484.14
IUPAC Nametitanium;bis(trimethylsilyl 3-oxohexaneperoxoate)
SMILESCCCC(=O)CC(=O)OO[Si](C)(C)C.CCCC(=O)CC(=O)OO[Si](C)(C)C.[Ti]
InChIInChI=1S/2C9H18O4Si.Ti/c2*1-5-6-8(10)7-9(11)12-13-14(2,3)4;/h2*5-7H2,1-4H3;
InChIKeyJXBNSQOFGOUMMD-UHFFFAOYSA-N
XLogP4.11
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of titanium;bis(trimethylsilyl 3-oxohexaneperoxoate)?
The IUPAC name of titanium;bis(trimethylsilyl 3-oxohexaneperoxoate) (CID 159049384) is titanium;bis(trimethylsilyl 3-oxohexaneperoxoate).
What is the SMILES notation for titanium;bis(trimethylsilyl 3-oxohexaneperoxoate)?
The canonical SMILES for titanium;bis(trimethylsilyl 3-oxohexaneperoxoate) is CCCC(=O)CC(=O)OO[Si](C)(C)C.CCCC(=O)CC(=O)OO[Si](C)(C)C.[Ti].
What is the InChIKey of titanium;bis(trimethylsilyl 3-oxohexaneperoxoate)?
The InChIKey is JXBNSQOFGOUMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18O4Si.Ti/c2*1-5-6-8(10)7-9(11)12-13-14(2,3)4;/h2*5-7H2,1-4H3;.
What are the key properties of titanium;bis(trimethylsilyl 3-oxohexaneperoxoate)?
titanium;bis(trimethylsilyl 3-oxohexaneperoxoate) has a molecular weight of 484.52 g/mol, XLogP of 4.11, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;bis(trimethylsilyl 3-oxohexaneperoxoate) is sourced from PubChem (CID 159049384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).