tris(cyclohexanol);titanium;tributyl(hydroxy)silane

C30H64O4SiTi — CID 140942421

IUPACtris(cyclohexanol);titanium;tributyl(hydroxy)silane
SMILESCCCC[Si](O)(CCCC)CCCC.OC1CCCCC1.OC1CCCCC1.OC1CCCCC1.[Ti]
InChIInChI=1S/C12H28OSi.3C6H12O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*7-6-4-2-1-3-5-6;/h13H,4-12H2,1-3H3;3*6-7H,1-5H2;
InChIKeyKJDINXVARILJAD-UHFFFAOYSA-N
MW564.79 g/mol
LogP8.26
Rot. Bonds9

About tris(cyclohexanol);titanium;tributyl(hydroxy)silane

tris(cyclohexanol);titanium;tributyl(hydroxy)silane (PubChem CID 140942421) has the molecular formula C30H64O4SiTi and a molecular weight of 564.79 g/mol. Its IUPAC name is tris(cyclohexanol);titanium;tributyl(hydroxy)silane.

Molecular Properties

Compound Nametris(cyclohexanol);titanium;tributyl(hydroxy)silane
PubChem CID140942421
Molecular FormulaC30H64O4SiTi
Molecular Weight564.79 g/mol
Exact Mass564.41
IUPAC Nametris(cyclohexanol);titanium;tributyl(hydroxy)silane
SMILESCCCC[Si](O)(CCCC)CCCC.OC1CCCCC1.OC1CCCCC1.OC1CCCCC1.[Ti]
InChIInChI=1S/C12H28OSi.3C6H12O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*7-6-4-2-1-3-5-6;/h13H,4-12H2,1-3H3;3*6-7H,1-5H2;
InChIKeyKJDINXVARILJAD-UHFFFAOYSA-N
XLogP8.26
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.79
LogP ≤ 58.26
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

butan-1-ol;cyclopentanol
CID 67930913
cyclohexanol;octan-1-ol
CID 67205561
tris(propan-1-ol);titanium;tributyl(hydroxy)silane
CID 140942716
ethanol;tributyl(hydroxy)silane;zirconium
CID 140942341
10-butoxycyclooctadecan-1-ol
CID 91298202
cyclohexanol;methanol
CID 18353815
tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane
CID 140942506
cyclohexanol;dodecoxymethanol
CID 157186825
tris(cyclododecanol);hexadecanoic acid
CID 175985554
cyclododecanol;ethoxyethane
CID 70443501
tetrakis(cyclooctanol);zirconium
CID 142301923
cyclohexanol;gallane
CID 172997547

Frequently Asked Questions

What is the IUPAC name of tris(cyclohexanol);titanium;tributyl(hydroxy)silane?
The IUPAC name of tris(cyclohexanol);titanium;tributyl(hydroxy)silane (CID 140942421) is tris(cyclohexanol);titanium;tributyl(hydroxy)silane.
What is the SMILES notation for tris(cyclohexanol);titanium;tributyl(hydroxy)silane?
The canonical SMILES for tris(cyclohexanol);titanium;tributyl(hydroxy)silane is CCCC[Si](O)(CCCC)CCCC.OC1CCCCC1.OC1CCCCC1.OC1CCCCC1.[Ti].
What is the InChIKey of tris(cyclohexanol);titanium;tributyl(hydroxy)silane?
The InChIKey is KJDINXVARILJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi.3C6H12O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*7-6-4-2-1-3-5-6;/h13H,4-12H2,1-3H3;3*6-7H,1-5H2;.
What are the key properties of tris(cyclohexanol);titanium;tributyl(hydroxy)silane?
tris(cyclohexanol);titanium;tributyl(hydroxy)silane has a molecular weight of 564.79 g/mol, XLogP of 8.26, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclohexanol);titanium;tributyl(hydroxy)silane is sourced from PubChem (CID 140942421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).