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

C10H19Cl2OSiZr- — CID 87847237

IUPAC2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride
SMILESC[Si](C)(C)OCCC1=[C-]CC=C1.Cl.Cl.[Zr]
InChIInChI=1S/C10H17OSi.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;;;/h4,6H,5,8-9H2,1-3H3;2*1H;/q-1;;;
InChIKeyFQQNVFZPBBJBFO-UHFFFAOYSA-N
MW345.48 g/mol
LogP3.76
Rot. Bonds4

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

2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride (PubChem CID 87847237) has the molecular formula C10H19Cl2OSiZr- and a molecular weight of 345.48 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride
PubChem CID87847237
Molecular FormulaC10H19Cl2OSiZr-
Molecular Weight345.48 g/mol
Exact Mass342.96
IUPAC Name2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride
SMILESC[Si](C)(C)OCCC1=[C-]CC=C1.Cl.Cl.[Zr]
InChIInChI=1S/C10H17OSi.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;;;/h4,6H,5,8-9H2,1-3H3;2*1H;/q-1;;;
InChIKeyFQQNVFZPBBJBFO-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride?
The IUPAC name of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride (CID 87847237) is 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride is C[Si](C)(C)OCCC1=[C-]CC=C1.Cl.Cl.[Zr].
What is the InChIKey of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride?
The InChIKey is FQQNVFZPBBJBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17OSi.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;;;/h4,6H,5,8-9H2,1-3H3;2*1H;/q-1;;;.
What are the key properties of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride?
2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride has a molecular weight of 345.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium;dihydrochloride is sourced from PubChem (CID 87847237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).