2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride

C10H17Cl2OSiZr — CID 87847236

IUPAC2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCCC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+3]
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;;;+3/p-2
InChIKeyOXWHSYQZULWLSP-UHFFFAOYSA-L
MW343.46 g/mol
LogP-3.08
Rot. Bonds4

About 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride

2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride (PubChem CID 87847236) has the molecular formula C10H17Cl2OSiZr and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride
PubChem CID87847236
Molecular FormulaC10H17Cl2OSiZr
Molecular Weight343.46 g/mol
Exact Mass340.95
IUPAC Name2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCCC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+3]
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;;;+3/p-2
InChIKeyOXWHSYQZULWLSP-UHFFFAOYSA-L
XLogP-3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 5-3.08
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(3+);dichloride?
The IUPAC name of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride (CID 87847236) is 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride is C[Si](C)(C)OCCC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride?
The InChIKey is OXWHSYQZULWLSP-UHFFFAOYSA-L. 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;;;+3/p-2.
What are the key properties of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride?
2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;zirconium(3+);dichloride has a molecular weight of 343.46 g/mol, XLogP of -3.08, 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(3+);dichloride is sourced from PubChem (CID 87847236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).