hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate

C22H30O4SiTi — CID 140942281

IUPAChydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate
SMILESCC(C)CO.O.O.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Ti]
InChIInChI=1S/C18H16OSi.C4H10O.2H2O.Ti/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3-5;;;/h1-15,19H;4-5H,3H2,1-2H3;2*1H2;
InChIKeyVJOLVEAVXYXNSY-UHFFFAOYSA-N
MW434.43 g/mol
LogP0.63
Rot. Bonds4

About hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate

hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate (PubChem CID 140942281) has the molecular formula C22H30O4SiTi and a molecular weight of 434.43 g/mol. Its IUPAC name is hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate.

Molecular Properties

Compound Namehydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate
PubChem CID140942281
Molecular FormulaC22H30O4SiTi
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC Namehydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate
SMILESCC(C)CO.O.O.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Ti]
InChIInChI=1S/C18H16OSi.C4H10O.2H2O.Ti/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3-5;;;/h1-15,19H;4-5H,3H2,1-2H3;2*1H2;
InChIKeyVJOLVEAVXYXNSY-UHFFFAOYSA-N
XLogP0.63
TPSA103.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydroxy(triphenyl)silane
CID 139058622
tris(hydroxy(triphenyl)silane);molybdenum
CID 140735235
2-methylpropan-1-ol;phenol
CID 158335156
hydroxy(triphenyl)silane;phenol;titanium
CID 140942435
bis(hydroxy(triphenyl)silane);phenol;titanium
CID 140942620
bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium
CID 140942564
[dimethyl(phenyl)silyl]oxy-dimethyl-phenylsilane;hydroxy(triphenyl)silane
CID 174793025
di(butan-2-yl)-hydroxy-phenylsilane
CID 139986252
tris(2-methylpropan-1-ol);titanium
CID 87503095
[hydroxy-(2-methylpropyl)-phenylsilyl]methanamine
CID 152688298
benzene;dichloromethane;2-methylpropan-1-ol
CID 70594153
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352

Frequently Asked Questions

What is the IUPAC name of hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate?
The IUPAC name of hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate (CID 140942281) is hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate.
What is the SMILES notation for hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate?
The canonical SMILES for hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate is CC(C)CO.O.O.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Ti].
What is the InChIKey of hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate?
The InChIKey is VJOLVEAVXYXNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OSi.C4H10O.2H2O.Ti/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3-5;;;/h1-15,19H;4-5H,3H2,1-2H3;2*1H2;.
What are the key properties of hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate?
hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate has a molecular weight of 434.43 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate is sourced from PubChem (CID 140942281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).