cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride

C21H30Cl2SiZr — CID 23032031

IUPACcyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride
SMILESCC1=[C-]CC(C)=C1[Si](C)(C1=C(C)C[C-]=C1C)C1CCCCC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C21H30Si.2ClH.Zr/c1-15-11-12-16(2)20(15)22(5,19-9-7-6-8-10-19)21-17(3)13-14-18(21)4;;;/h19H,6-11,13H2,1-5H3;2*1H;/q-2;;;+4/p-2
InChIKeyQMHUUJLBSMERNK-UHFFFAOYSA-L
MW472.69 g/mol
LogP0.42
Rot. Bonds3

About cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride

cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride (PubChem CID 23032031) has the molecular formula C21H30Cl2SiZr and a molecular weight of 472.69 g/mol. Its IUPAC name is cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride
PubChem CID23032031
Molecular FormulaC21H30Cl2SiZr
Molecular Weight472.69 g/mol
Exact Mass470.05
IUPAC Namecyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride
SMILESCC1=[C-]CC(C)=C1[Si](C)(C1=C(C)C[C-]=C1C)C1CCCCC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C21H30Si.2ClH.Zr/c1-15-11-12-16(2)20(15)22(5,19-9-7-6-8-10-19)21-17(3)13-14-18(21)4;;;/h19H,6-11,13H2,1-5H3;2*1H;/q-2;;;+4/p-2
InChIKeyQMHUUJLBSMERNK-UHFFFAOYSA-L
XLogP0.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.69
LogP ≤ 50.42
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 cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride?
The IUPAC name of cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride (CID 23032031) is cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride.
What is the SMILES notation for cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride?
The canonical SMILES for cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride is CC1=[C-]CC(C)=C1[Si](C)(C1=C(C)C[C-]=C1C)C1CCCCC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride?
The InChIKey is QMHUUJLBSMERNK-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H30Si.2ClH.Zr/c1-15-11-12-16(2)20(15)22(5,19-9-7-6-8-10-19)21-17(3)13-14-18(21)4;;;/h19H,6-11,13H2,1-5H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride?
cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride has a molecular weight of 472.69 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride is sourced from PubChem (CID 23032031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).