dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride

C18H28Cl2SiTi-2 — CID 87101317

IUPACdimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride
SMILESCCC1=CC[C-]=C1C.CCC1=CC[C-]=C1C.C[Si](C)=[Ti+2].[Cl-].[Cl-]
InChIInChI=1S/2C8H11.C2H6Si.2ClH.Ti/c2*1-3-8-6-4-5-7(8)2;1-3-2;;;/h2*6H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGMDTYYUXAWPMBA-UHFFFAOYSA-L
MW391.28 g/mol
LogP-0.26
Rot. Bonds2

About dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride

dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride (PubChem CID 87101317) has the molecular formula C18H28Cl2SiTi-2 and a molecular weight of 391.28 g/mol. Its IUPAC name is dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namedimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride
PubChem CID87101317
Molecular FormulaC18H28Cl2SiTi-2
Molecular Weight391.28 g/mol
Exact Mass390.08
IUPAC Namedimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride
SMILESCCC1=CC[C-]=C1C.CCC1=CC[C-]=C1C.C[Si](C)=[Ti+2].[Cl-].[Cl-]
InChIInChI=1S/2C8H11.C2H6Si.2ClH.Ti/c2*1-3-8-6-4-5-7(8)2;1-3-2;;;/h2*6H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGMDTYYUXAWPMBA-UHFFFAOYSA-L
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 5-0.26
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(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride?
The IUPAC name of dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride (CID 87101317) is dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride is CCC1=CC[C-]=C1C.CCC1=CC[C-]=C1C.C[Si](C)=[Ti+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride?
The InChIKey is GMDTYYUXAWPMBA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.C2H6Si.2ClH.Ti/c2*1-3-8-6-4-5-7(8)2;1-3-2;;;/h2*6H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride?
dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride has a molecular weight of 391.28 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenetitanium(2+);bis(2-ethyl-3-methylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 87101317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).