dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride

C18H30Cl2SiTi — CID 89405477

IUPACdimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride
SMILESCC1=[C-]CC(C)=C1C.CC1=[C-]CC(C)=C1C.C[Si](C)=[Ti+2].Cl.Cl
InChIInChI=1S/2C8H11.C2H6Si.2ClH.Ti/c2*1-6-4-5-7(2)8(6)3;1-3-2;;;/h2*4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyXJSHMVGQWBTGOS-UHFFFAOYSA-N
MW393.30 g/mol
LogP6.58
Rot. Bonds

About dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride

dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride (PubChem CID 89405477) has the molecular formula C18H30Cl2SiTi and a molecular weight of 393.30 g/mol. Its IUPAC name is dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride.

Molecular Properties

Compound Namedimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride
PubChem CID89405477
Molecular FormulaC18H30Cl2SiTi
Molecular Weight393.30 g/mol
Exact Mass392.10
IUPAC Namedimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride
SMILESCC1=[C-]CC(C)=C1C.CC1=[C-]CC(C)=C1C.C[Si](C)=[Ti+2].Cl.Cl
InChIInChI=1S/2C8H11.C2H6Si.2ClH.Ti/c2*1-6-4-5-7(2)8(6)3;1-3-2;;;/h2*4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyXJSHMVGQWBTGOS-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.30
LogP ≤ 56.58
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'}

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Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride?
The IUPAC name of dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride (CID 89405477) is dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride.
What is the SMILES notation for dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride?
The canonical SMILES for dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride is CC1=[C-]CC(C)=C1C.CC1=[C-]CC(C)=C1C.C[Si](C)=[Ti+2].Cl.Cl.
What is the InChIKey of dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride?
The InChIKey is XJSHMVGQWBTGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11.C2H6Si.2ClH.Ti/c2*1-6-4-5-7(2)8(6)3;1-3-2;;;/h2*4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride?
dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride has a molecular weight of 393.30 g/mol, XLogP of 6.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenetitanium(2+);bis(1,2,3-trimethylcyclopenta-1,3-diene);dihydrochloride is sourced from PubChem (CID 89405477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).