cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride

C15H22Cl2SiTi-2 — CID 87675934

IUPACcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]CC(C)=C1C.C[Si](C)=[Ti+2].[C-]1=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/C8H11.C5H5.C2H6Si.2ClH.Ti/c1-6-4-5-7(2)8(6)3;1-2-4-5-3-1;1-3-2;;;/h4H2,1-3H3;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyZNRMQLRHIBOANK-UHFFFAOYSA-L
MW349.20 g/mol
LogP-1.43
Rot. Bonds

About cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride

cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride (PubChem CID 87675934) has the molecular formula C15H22Cl2SiTi-2 and a molecular weight of 349.20 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride
PubChem CID87675934
Molecular FormulaC15H22Cl2SiTi-2
Molecular Weight349.20 g/mol
Exact Mass348.04
IUPAC Namecyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]CC(C)=C1C.C[Si](C)=[Ti+2].[C-]1=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/C8H11.C5H5.C2H6Si.2ClH.Ti/c1-6-4-5-7(2)8(6)3;1-2-4-5-3-1;1-3-2;;;/h4H2,1-3H3;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyZNRMQLRHIBOANK-UHFFFAOYSA-L
XLogP-1.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride with MolForge

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Related Compounds

cyclopenta-1,3-diene;methylidenezirconium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride
CID 22673340
dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dichloride
CID 87100976
dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride
CID 89405477
lithium 1,2,3-trimethylcyclopenta-1,3-diene
CID 18347737
titanium;1,2,3-trimethylcyclopenta-1,3-diene
CID 173208419
CID 22023550
CID 22023550
cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride
CID 175602961
cyclopenta-1,3-diene;1,2-dimethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 87394647
carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene
CID 22133461
hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride (CID 87675934) is cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride is CC1=[C-]CC(C)=C1C.C[Si](C)=[Ti+2].[C-]1=CC=CC1.[Cl-].[Cl-].
What is the InChIKey of cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride?
The InChIKey is ZNRMQLRHIBOANK-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11.C5H5.C2H6Si.2ClH.Ti/c1-6-4-5-7(2)8(6)3;1-2-4-5-3-1;1-3-2;;;/h4H2,1-3H3;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride?
cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride has a molecular weight of 349.20 g/mol, XLogP of -1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);1,2,3-trimethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 87675934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).