bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium

C36H68O4Si2Ti — CID 140942564

IUPACbis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium
SMILESCC(C)C[Si](O)(CC(C)C)CC(C)C.CC(C)C[Si](O)(CC(C)C)CC(C)C.Oc1ccccc1.Oc1ccccc1.[Ti]
InChIInChI=1S/2C12H28OSi.2C6H6O.Ti/c2*1-10(2)7-14(13,8-11(3)4)9-12(5)6;2*7-6-4-2-1-3-5-6;/h2*10-13H,7-9H2,1-6H3;2*1-5,7H;
InChIKeyWXOOWWZEOJVEFQ-UHFFFAOYSA-N
MW668.98 g/mol
LogP10.57
Rot. Bonds12

About bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium

bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium (PubChem CID 140942564) has the molecular formula C36H68O4Si2Ti and a molecular weight of 668.98 g/mol. Its IUPAC name is bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium.

Molecular Properties

Compound Namebis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium
PubChem CID140942564
Molecular FormulaC36H68O4Si2Ti
Molecular Weight668.98 g/mol
Exact Mass668.41
IUPAC Namebis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium
SMILESCC(C)C[Si](O)(CC(C)C)CC(C)C.CC(C)C[Si](O)(CC(C)C)CC(C)C.Oc1ccccc1.Oc1ccccc1.[Ti]
InChIInChI=1S/2C12H28OSi.2C6H6O.Ti/c2*1-10(2)7-14(13,8-11(3)4)9-12(5)6;2*7-6-4-2-1-3-5-6;/h2*10-13H,7-9H2,1-6H3;2*1-5,7H;
InChIKeyWXOOWWZEOJVEFQ-UHFFFAOYSA-N
XLogP10.57
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.98
LogP ≤ 510.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropan-1-ol;phenol
CID 158335156
hydroxy-tri(propan-2-yl)silane;phenol;zirconium
CID 140942351
bis(hydroxy(triphenyl)silane);phenol;titanium
CID 140942620
hydroxy(triphenyl)silane;phenol;titanium
CID 140942435
phenol;tris(2-methylpropyl)alumane
CID 174801249
phenol;propan-2-ylphosphane
CID 142173645
benzene;phenol;propane
CID 157176896
N,2-dimethylpropan-1-amine;phenol
CID 174856624
3-methylbutan-1-ol;phenol;ytterbium
CID 139987500
ethane;phenol
CID 161156308
ethane-1,1-dithiol;ethane-1,2-dithiol;phenol
CID 158840178
hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate
CID 140942281

Frequently Asked Questions

What is the IUPAC name of bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium?
The IUPAC name of bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium (CID 140942564) is bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium.
What is the SMILES notation for bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium?
The canonical SMILES for bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium is CC(C)C[Si](O)(CC(C)C)CC(C)C.CC(C)C[Si](O)(CC(C)C)CC(C)C.Oc1ccccc1.Oc1ccccc1.[Ti].
What is the InChIKey of bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium?
The InChIKey is WXOOWWZEOJVEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28OSi.2C6H6O.Ti/c2*1-10(2)7-14(13,8-11(3)4)9-12(5)6;2*7-6-4-2-1-3-5-6;/h2*10-13H,7-9H2,1-6H3;2*1-5,7H;.
What are the key properties of bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium?
bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium has a molecular weight of 668.98 g/mol, XLogP of 10.57, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy-tris(2-methylpropyl)silane);phenol;titanium is sourced from PubChem (CID 140942564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).