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

C26H64O4Si2Ti — CID 140942249

IUPACbis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium
SMILESCCC(C)O.CCC(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*1-3-4(2)5;/h2*10H,4-9H2,1-3H3;2*4-5H,3H2,1-2H3;
InChIKeyYSYJBRPXIVAICT-UHFFFAOYSA-N
MW544.83 g/mol
LogP7.86
Rot. Bonds14

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

bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium (PubChem CID 140942249) has the molecular formula C26H64O4Si2Ti and a molecular weight of 544.83 g/mol. Its IUPAC name is bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium.

Molecular Properties

Compound Namebis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium
PubChem CID140942249
Molecular FormulaC26H64O4Si2Ti
Molecular Weight544.83 g/mol
Exact Mass544.38
IUPAC Namebis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium
SMILESCCC(C)O.CCC(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*1-3-4(2)5;/h2*10H,4-9H2,1-3H3;2*4-5H,3H2,1-2H3;
InChIKeyYSYJBRPXIVAICT-UHFFFAOYSA-N
XLogP7.86
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
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'}

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Related Compounds

bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium
CID 140942339
bis(hydroxy(tripropyl)silane);bis(2-methylpropan-2-ol);titanium
CID 140942637
CID 157498325
CID 157498325
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
tris(butan-2-ol);gallane
CID 175569742
bis(butan-2-ol);bis(hydroxy-tris(2-methylpropyl)silane);zirconium
CID 140942453
propane-1,2-diol;trihydroxy(propyl)silane
CID 87061446
butan-2-ol;pentane
CID 87560104
butan-2-ol;ethanol
CID 87396559
butan-2-ol;ethanol
CID 174347632
bis(butan-2-ol);carbanide;tantalum
CID 22416357

Frequently Asked Questions

What is the IUPAC name of bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium?
The IUPAC name of bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium (CID 140942249) is bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium.
What is the SMILES notation for bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium?
The canonical SMILES for bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium is CCC(C)O.CCC(C)O.CCC[Si](O)(CCC)CCC.CCC[Si](O)(CCC)CCC.[Ti].
What is the InChIKey of bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium?
The InChIKey is YSYJBRPXIVAICT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H22OSi.2C4H10O.Ti/c2*1-4-7-11(10,8-5-2)9-6-3;2*1-3-4(2)5;/h2*10H,4-9H2,1-3H3;2*4-5H,3H2,1-2H3;.
What are the key properties of bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium?
bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium has a molecular weight of 544.83 g/mol, XLogP of 7.86, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium is sourced from PubChem (CID 140942249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).