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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Related Compounds

Cyclopenta-2,4-dien-1-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053442
Silane, bis(2,4-dimethyl-2,4-cyclopentadien-1-yl)dimethyl-
CID 12156406
Bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane
CID 12998001
Dimethyl-bis(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 15219535
Bis(2,4-dimethylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 15820798
Trimethyl-[5-[2-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)ethyl]cyclopenta-1,4-dien-1-yl]silane
CID 17775331
Trimethyl-[5-[(5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]silane
CID 17775362
Cyclopenta-1,3-diene;1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
CID 17819724
Bis(2-ethyl-3-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 18450423
Dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride
CID 18468835
1,3-Dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
CID 18628490
1,3-Dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);dichloride
CID 18672745

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).