tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane

C30H64O4SiTi — CID 140942489

IUPACtris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane
SMILESCCC(C)O.CCC(C)O.CCC(C)O.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Ti]
InChIInChI=1S/C18H34OSi.3C4H10O.Ti/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-3-4(2)5;/h16-19H,1-15H2;3*4-5H,3H2,1-2H3;
InChIKeyDQVDTWHLOQFLTD-UHFFFAOYSA-N
MW564.79 g/mol
LogP8.26
Rot. Bonds6

About tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane

tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane (PubChem CID 140942489) has the molecular formula C30H64O4SiTi and a molecular weight of 564.79 g/mol. Its IUPAC name is tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane.

Molecular Properties

Compound Nametris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane
PubChem CID140942489
Molecular FormulaC30H64O4SiTi
Molecular Weight564.79 g/mol
Exact Mass564.41
IUPAC Nametris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane
SMILESCCC(C)O.CCC(C)O.CCC(C)O.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Ti]
InChIInChI=1S/C18H34OSi.3C4H10O.Ti/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-3-4(2)5;/h16-19H,1-15H2;3*4-5H,3H2,1-2H3;
InChIKeyDQVDTWHLOQFLTD-UHFFFAOYSA-N
XLogP8.26
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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'}

Analyze tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane 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

ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium
CID 140942607
tri(butan-2-yl)-cyclohexylsilane
CID 18763922
cyclohexyl-tri(pentan-3-yl)silane
CID 139968935
cyclononyl-diethyl-propan-2-ylsilane
CID 70177803
dicyclopentyl-hydroxy-propan-2-ylsilane
CID 67252550
4-cyclohexylhexan-2-ol
CID 11830109
nitric acid;tricyclohexyl(hydroxy)silane
CID 71398230
pentakis(butan-2-ol);molybdenum
CID 152613437
CID 157498325
CID 157498325
aluminum butan-2-ol
CID 23623700
tris(butan-2-ol);gallane
CID 175569742
5-cyclohexylheptan-2-ol
CID 89364025

Frequently Asked Questions

What is the IUPAC name of tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane?
The IUPAC name of tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane (CID 140942489) is tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane.
What is the SMILES notation for tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane?
The canonical SMILES for tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane is CCC(C)O.CCC(C)O.CCC(C)O.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Ti].
What is the InChIKey of tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane?
The InChIKey is DQVDTWHLOQFLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi.3C4H10O.Ti/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-3-4(2)5;/h16-19H,1-15H2;3*4-5H,3H2,1-2H3;.
What are the key properties of tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane?
tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane has a molecular weight of 564.79 g/mol, XLogP of 8.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-2-ol);titanium;tricyclohexyl(hydroxy)silane is sourced from PubChem (CID 140942489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).