CID 10950592

C22H33Cl2OSiTi — CID 10950592

IUPAC—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)c2cc(C)cc(C(C)(C)C)c2O)[C]1C.Cl[Ti]Cl
InChIInChI=1S/C22H33OSi.2ClH.Ti/c1-13-11-18(22(6,7)8)20(23)19(12-13)24(9,10)21-16(4)14(2)15(3)17(21)5;;;/h11-12,23H,1-10H3;2*1H;/q;;;+2/p-2
InChIKeyVFPPTUXZAARADB-UHFFFAOYSA-L
MW460.36 g/mol
LogP6.79
Rot. Bonds2

About CID 10950592

CID 10950592 (PubChem CID 10950592) has the molecular formula C22H33Cl2OSiTi and a molecular weight of 460.36 g/mol.

Molecular Properties

Compound NameCID 10950592
PubChem CID10950592
Molecular FormulaC22H33Cl2OSiTi
Molecular Weight460.36 g/mol
Exact Mass459.12
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)c2cc(C)cc(C(C)(C)C)c2O)[C]1C.Cl[Ti]Cl
InChIInChI=1S/C22H33OSi.2ClH.Ti/c1-13-11-18(22(6,7)8)20(23)19(12-13)24(9,10)21-16(4)14(2)15(3)17(21)5;;;/h11-12,23H,1-10H3;2*1H;/q;;;+2/p-2
InChIKeyVFPPTUXZAARADB-UHFFFAOYSA-L
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 11434414
CID 11434414
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;dichlorotitanium
CID 85407072
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-tert-butyl-6-[(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-diethylsilyl]-4-methylphenol;carbanide;dichlorotitanium
CID 162303901
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699

Frequently Asked Questions

What is the IUPAC name of CID 10950592?
The IUPAC name of CID 10950592 (CID 10950592) is not available.
What is the SMILES notation for CID 10950592?
The canonical SMILES for CID 10950592 is C[C]1[C](C)[C](C)[C]([Si](C)(C)c2cc(C)cc(C(C)(C)C)c2O)[C]1C.Cl[Ti]Cl.
What is the InChIKey of CID 10950592?
The InChIKey is VFPPTUXZAARADB-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H33OSi.2ClH.Ti/c1-13-11-18(22(6,7)8)20(23)19(12-13)24(9,10)21-16(4)14(2)15(3)17(21)5;;;/h11-12,23H,1-10H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 10950592?
CID 10950592 has a molecular weight of 460.36 g/mol, XLogP of 6.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10950592 is sourced from PubChem (CID 10950592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).