bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium

C26H64O4Si2Ti — CID 140942637

IUPACbis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium
SMILESCC(C)(C)O.CC(C)(C)O.CCC[Si](O)(CCC)CCC.CCC[Si](O)(CCC)CCC.[Ti]
InChIInChI=1S/2C9H22OSi.2C4H10O.Ti/c2*1-4-7-11(10,8-5-2)9-6-3;2*1-4(2,3)5;/h2*10H,4-9H2,1-3H3;2*5H,1-3H3;
InChIKeyZEPNFAAYNWFPCU-UHFFFAOYSA-N
MW544.83 g/mol
LogP7.86
Rot. Bonds12

About bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium

bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium (PubChem CID 140942637) has the molecular formula C26H64O4Si2Ti and a molecular weight of 544.83 g/mol. Its IUPAC name is bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium.

Molecular Properties

Compound Namebis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium
PubChem CID140942637
Molecular FormulaC26H64O4Si2Ti
Molecular Weight544.83 g/mol
Exact Mass544.38
IUPAC Namebis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium
SMILESCC(C)(C)O.CC(C)(C)O.CCC[Si](O)(CCC)CCC.CCC[Si](O)(CCC)CCC.[Ti]
InChIInChI=1S/2C9H22OSi.2C4H10O.Ti/c2*1-4-7-11(10,8-5-2)9-6-3;2*1-4(2,3)5;/h2*10H,4-9H2,1-3H3;2*5H,1-3H3;
InChIKeyZEPNFAAYNWFPCU-UHFFFAOYSA-N
XLogP7.86
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.83
LogP ≤ 57.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium 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(tripropyl)silane;methanol;titanium;dihydrate
CID 140942508
bis(2-methylpropan-2-ol);titanium;bis(triethyl(hydroxy)silane)
CID 140942387
bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium
CID 140942249
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
tris(propan-1-ol);titanium;tributyl(hydroxy)silane
CID 140942716
butane;propane-2,2-diol
CID 142587058
tris(butan-1-ol);2-methylpropan-2-ol;titanium
CID 87900186
2-methylpropan-2-ol;propan-1-ol;yttrium
CID 154183382
carbanide;2-methylpropan-2-ol;titanium
CID 174438258
bis(hydroxy-dimethyl-propylsilane);sulfane
CID 87921130
tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane
CID 140942506
bis[[hydroxy(dimethyl)silyl]oxy]-methyl-propylsilane
CID 20640832

Frequently Asked Questions

What is the IUPAC name of bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium?
The IUPAC name of bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium (CID 140942637) is bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium.
What is the SMILES notation for bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium?
The canonical SMILES for bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium is CC(C)(C)O.CC(C)(C)O.CCC[Si](O)(CCC)CCC.CCC[Si](O)(CCC)CCC.[Ti].
What is the InChIKey of bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium?
The InChIKey is ZEPNFAAYNWFPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H22OSi.2C4H10O.Ti/c2*1-4-7-11(10,8-5-2)9-6-3;2*1-4(2,3)5;/h2*10H,4-9H2,1-3H3;2*5H,1-3H3;.
What are the key properties of bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium?
bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium has a molecular weight of 544.83 g/mol, XLogP of 7.86, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium is sourced from PubChem (CID 140942637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).