bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride

C16H26Cl2O6Si2Ti — CID 87195691

IUPACbis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride
SMILESCO[Si](OC)(OC)C1=[C-]CC=C1.CO[Si](OC)(OC)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C8H13O3Si.2ClH.Ti/c2*1-9-12(10-2,11-3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYLFKAMYJTFAHAA-UHFFFAOYSA-L
MW489.32 g/mol
LogP-3.81
Rot. Bonds8

About bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride

bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride (PubChem CID 87195691) has the molecular formula C16H26Cl2O6Si2Ti and a molecular weight of 489.32 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride
PubChem CID87195691
Molecular FormulaC16H26Cl2O6Si2Ti
Molecular Weight489.32 g/mol
Exact Mass488.01
IUPAC Namebis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride
SMILESCO[Si](OC)(OC)C1=[C-]CC=C1.CO[Si](OC)(OC)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C8H13O3Si.2ClH.Ti/c2*1-9-12(10-2,11-3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYLFKAMYJTFAHAA-UHFFFAOYSA-L
XLogP-3.81
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.32
LogP ≤ 5-3.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride (CID 87195691) is bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride.
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride is CO[Si](OC)(OC)C1=[C-]CC=C1.CO[Si](OC)(OC)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride?
The InChIKey is YLFKAMYJTFAHAA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H13O3Si.2ClH.Ti/c2*1-9-12(10-2,11-3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride?
bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride has a molecular weight of 489.32 g/mol, XLogP of -3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yl(trimethoxy)silane);titanium(4+);dichloride is sourced from PubChem (CID 87195691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).