bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium

C26H42Cl4O2Si2Ti — CID 158610107

IUPACbis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium
SMILESCc1cc(CCC[Si](C)(C)Cl)cc(C)c1O.Cc1cc(CCC[Si](C)(C)Cl)cc(C)c1O.Cl[Ti]Cl
InChIInChI=1S/2C13H21ClOSi.2ClH.Ti/c2*1-10-8-12(9-11(2)13(10)15)6-5-7-16(3,4)14;;;/h2*8-9,15H,5-7H2,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyWMBZMZWHNOXSRY-UHFFFAOYSA-L
MW632.47 g/mol
LogP10.15
Rot. Bonds8

About bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium

bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium (PubChem CID 158610107) has the molecular formula C26H42Cl4O2Si2Ti and a molecular weight of 632.47 g/mol. Its IUPAC name is bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium.

Molecular Properties

Compound Namebis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium
PubChem CID158610107
Molecular FormulaC26H42Cl4O2Si2Ti
Molecular Weight632.47 g/mol
Exact Mass630.10
IUPAC Namebis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium
SMILESCc1cc(CCC[Si](C)(C)Cl)cc(C)c1O.Cc1cc(CCC[Si](C)(C)Cl)cc(C)c1O.Cl[Ti]Cl
InChIInChI=1S/2C13H21ClOSi.2ClH.Ti/c2*1-10-8-12(9-11(2)13(10)15)6-5-7-16(3,4)14;;;/h2*8-9,15H,5-7H2,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyWMBZMZWHNOXSRY-UHFFFAOYSA-L
XLogP10.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.47
LogP ≤ 510.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol
CID 58961506
2,6-dimethyl-4-pentylphenol
CID 22625507
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol
CID 67061686
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
5-(4-hydroxy-3,5-dimethylphenyl)pentanal
CID 10058811
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2,6-dimethylphenol
CID 70988485
4-(3-dodecylsulfanylpropyl)-2,6-dimethylphenol
CID 91051445

Frequently Asked Questions

What is the IUPAC name of bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium?
The IUPAC name of bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium (CID 158610107) is bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium.
What is the SMILES notation for bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium?
The canonical SMILES for bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium is Cc1cc(CCC[Si](C)(C)Cl)cc(C)c1O.Cc1cc(CCC[Si](C)(C)Cl)cc(C)c1O.Cl[Ti]Cl.
What is the InChIKey of bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium?
The InChIKey is WMBZMZWHNOXSRY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H21ClOSi.2ClH.Ti/c2*1-10-8-12(9-11(2)13(10)15)6-5-7-16(3,4)14;;;/h2*8-9,15H,5-7H2,1-4H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium?
bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium has a molecular weight of 632.47 g/mol, XLogP of 10.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium is sourced from PubChem (CID 158610107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).