dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride

C24H28Cl2SiZr-2 — CID 161008960

IUPACdimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride
SMILESCCC1[C-]=Cc2ccccc21.CCC1[C-]=Cc2ccccc21.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;;;/h2*3-6,8-9H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQGNOYGYGUYZVOQ-UHFFFAOYSA-L
MW506.70 g/mol
LogP0.81
Rot. Bonds2

About dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride

dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride (PubChem CID 161008960) has the molecular formula C24H28Cl2SiZr-2 and a molecular weight of 506.70 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride
PubChem CID161008960
Molecular FormulaC24H28Cl2SiZr-2
Molecular Weight506.70 g/mol
Exact Mass504.04
IUPAC Namedimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride
SMILESCCC1[C-]=Cc2ccccc21.CCC1[C-]=Cc2ccccc21.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;;;/h2*3-6,8-9H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQGNOYGYGUYZVOQ-UHFFFAOYSA-L
XLogP0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.70
LogP ≤ 50.81
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 dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride with MolForge

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

Launch Full Analysis

Related Compounds

1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride
CID 174711446
lithium 1-butyl-1,2-dihydroinden-2-ide
CID 86706728
2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride
CID 160917637
carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
CID 163362666
hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
CID 158792609
ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)
CID 140556750
cyclopenta-1,3-diene;1-[(2,6-difluorophenyl)methyl]-1,2-dihydroinden-2-ide;zirconium(4+);dichloride
CID 172834405
1-[2-(1,2-dihydroinden-2-id-1-yl)ethyl]-1,2-dihydroinden-2-ide;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
CID 2755404
lithium 1-propan-2-yl-1,2-dihydroinden-2-ide
CID 140544977
dibromotitanium;1-methyl-1,2-dihydroinden-2-ide
CID 174700744
2-butylcyclopenta-1,3-diene;1-prop-2-enyl-1,2-dihydroinden-2-ide;zirconium(4+);dichloride
CID 87088480
1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;1-(2-methylpropyl)-1,2-dihydroinden-2-ide;titanium(4+);dichloride
CID 158169488

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride (CID 161008960) is dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride is CCC1[C-]=Cc2ccccc21.CCC1[C-]=Cc2ccccc21.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride?
The InChIKey is QGNOYGYGUYZVOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.C2H6Si.2ClH.Zr/c2*1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;;;/h2*3-6,8-9H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride has a molecular weight of 506.70 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride is sourced from PubChem (CID 161008960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).