bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride

C18H32Cl2SiZr-4 — CID 173008605

IUPACbis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.Cl.Cl.[CH2-]C.[CH2-]C.[SiH2]=[Zr]
InChIInChI=1S/2C7H9.2C2H5.2ClH.H2Si.Zr/c2*1-6-4-3-5-7(6)2;2*1-2;;;;/h2*4H,3H2,1-2H3;2*1H2,2H3;2*1H;1H2;/q4*-1;;;;
InChIKeyLWCLPPLKJMHXBZ-UHFFFAOYSA-N
MW438.67 g/mol
LogP5.78
Rot. Bonds

About bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride

bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride (PubChem CID 173008605) has the molecular formula C18H32Cl2SiZr-4 and a molecular weight of 438.67 g/mol. Its IUPAC name is bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namebis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride
PubChem CID173008605
Molecular FormulaC18H32Cl2SiZr-4
Molecular Weight438.67 g/mol
Exact Mass436.07
IUPAC Namebis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.Cl.Cl.[CH2-]C.[CH2-]C.[SiH2]=[Zr]
InChIInChI=1S/2C7H9.2C2H5.2ClH.H2Si.Zr/c2*1-6-4-3-5-7(6)2;2*1-2;;;;/h2*4H,3H2,1-2H3;2*1H2,2H3;2*1H;1H2;/q4*-1;;;;
InChIKeyLWCLPPLKJMHXBZ-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.67
LogP ≤ 55.78
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

bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
CID 175385628
carbanide;2,3-dimethylcyclopenta-1,3-diene;zirconium(4+)
CID 22676373
bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
CID 173149529
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide
CID 173280774
tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
CID 173280689
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
CID 173161612
bis(2,3-dimethylcyclopenta-1,3-diene);ethanol;zirconium(4+);dichloride
CID 175144205
bis(2,3-dimethylcyclopenta-1,3-diene);methanidylbenzene;zirconium(4+);chloride
CID 87759015
magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene
CID 174383038
CID 173338511
CID 173338511
carbanide;cyclohexane;bis(2,3-dimethylcyclopenta-1,3-diene);zirconium(2+);dichloride
CID 87108285
bis(2-ethyl-3-methylcyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 87674700

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride?
The IUPAC name of bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride (CID 173008605) is bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride.
What is the SMILES notation for bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride?
The canonical SMILES for bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride is CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.Cl.Cl.[CH2-]C.[CH2-]C.[SiH2]=[Zr].
What is the InChIKey of bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride?
The InChIKey is LWCLPPLKJMHXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9.2C2H5.2ClH.H2Si.Zr/c2*1-6-4-3-5-7(6)2;2*1-2;;;;/h2*4H,3H2,1-2H3;2*1H2,2H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride?
bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride has a molecular weight of 438.67 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173008605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).