tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride

C11H21Cl2SiZr- — CID 87316415

IUPACtert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride
SMILESCC(C)(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr]
InChIInChI=1S/C11H19Si.2ClH.Zr/c1-11(2,3)12(4,5)10-8-6-7-9-10;;;/h6,8H,7H2,1-5H3;2*1H;/q-1;;;
InChIKeyAAINUJPXQAMMKU-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.56
Rot. Bonds1

About tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride

tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride (PubChem CID 87316415) has the molecular formula C11H21Cl2SiZr- and a molecular weight of 343.51 g/mol. Its IUPAC name is tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride.

Molecular Properties

Compound Nametert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride
PubChem CID87316415
Molecular FormulaC11H21Cl2SiZr-
Molecular Weight343.51 g/mol
Exact Mass340.98
IUPAC Nametert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride
SMILESCC(C)(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr]
InChIInChI=1S/C11H19Si.2ClH.Zr/c1-11(2,3)12(4,5)10-8-6-7-9-10;;;/h6,8H,7H2,1-5H3;2*1H;/q-1;;;
InChIKeyAAINUJPXQAMMKU-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.56
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 tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride?
The IUPAC name of tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride (CID 87316415) is tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride.
What is the SMILES notation for tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride?
The canonical SMILES for tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride is CC(C)(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr].
What is the InChIKey of tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride?
The InChIKey is AAINUJPXQAMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Si.2ClH.Zr/c1-11(2,3)12(4,5)10-8-6-7-9-10;;;/h6,8H,7H2,1-5H3;2*1H;/q-1;;;.
What are the key properties of tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride?
tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride has a molecular weight of 343.51 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclopenta-1,4-dien-1-yl-dimethylsilane;zirconium;dihydrochloride is sourced from PubChem (CID 87316415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).