bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride

C20H36Cl2O2Si2Zr — CID 87847594

IUPACbis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride
SMILESC[Si](C)(C)OCCC1=[C-]CC=C1.C[Si](C)(C)OCCC1=[C-]CC=C1.Cl.Cl.[Zr+2]
InChIInChI=1S/2C10H17OSi.2ClH.Zr/c2*1-12(2,3)11-9-8-10-6-4-5-7-10;;;/h2*4,6H,5,8-9H2,1-3H3;2*1H;/q2*-1;;;+2
InChIKeyMWZRCFVHSCCFBB-UHFFFAOYSA-N
MW526.81 g/mol
LogP6.68
Rot. Bonds8

About bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride

bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride (PubChem CID 87847594) has the molecular formula C20H36Cl2O2Si2Zr and a molecular weight of 526.81 g/mol. Its IUPAC name is bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride
PubChem CID87847594
Molecular FormulaC20H36Cl2O2Si2Zr
Molecular Weight526.81 g/mol
Exact Mass524.07
IUPAC Namebis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride
SMILESC[Si](C)(C)OCCC1=[C-]CC=C1.C[Si](C)(C)OCCC1=[C-]CC=C1.Cl.Cl.[Zr+2]
InChIInChI=1S/2C10H17OSi.2ClH.Zr/c2*1-12(2,3)11-9-8-10-6-4-5-7-10;;;/h2*4,6H,5,8-9H2,1-3H3;2*1H;/q2*-1;;;+2
InChIKeyMWZRCFVHSCCFBB-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride?
The IUPAC name of bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride (CID 87847594) is bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride.
What is the SMILES notation for bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride?
The canonical SMILES for bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride is C[Si](C)(C)OCCC1=[C-]CC=C1.C[Si](C)(C)OCCC1=[C-]CC=C1.Cl.Cl.[Zr+2].
What is the InChIKey of bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride?
The InChIKey is MWZRCFVHSCCFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17OSi.2ClH.Zr/c2*1-12(2,3)11-9-8-10-6-4-5-7-10;;;/h2*4,6H,5,8-9H2,1-3H3;2*1H;/q2*-1;;;+2.
What are the key properties of bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride?
bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride has a molecular weight of 526.81 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane);zirconium(2+);dihydrochloride is sourced from PubChem (CID 87847594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).