(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)

C20H32O2SiZr — CID 87936077

About (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)

(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+) (PubChem CID 87936077) has the molecular formula C20H32O2SiZr and a molecular weight of 423.78 g/mol. Its IUPAC name is (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+).

Molecular Properties

• Compound Name: (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)
• PubChem CID: 87936077
• Molecular Formula: C20H32O2SiZr
• Molecular Weight: 423.78 g/mol
• Exact Mass: 422.12
• IUPAC Name: (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)
• SMILES: CC1=[C-]C(C)(C)C(C)=C1C.CCOC1=[C-]CC=C1O[Si](C)(C)C.[Zr+2]
• InChI: InChI=1S/C10H17O2Si.C10H15.Zr/c1-5-11-9-7-6-8-10(9)12-13(2,3)4;1-7-6-10(4,5)9(3)8(7)2;/h8H,5-6H2,1-4H3;1-5H3;/q2*-1;+2
• InChIKey: DFKDKSHOCPUBOU-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.78
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)?

The IUPAC name of (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+) (CID 87936077) is (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+).

What is the SMILES notation for (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)?

The canonical SMILES for (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+) is CC1=[C-]C(C)(C)C(C)=C1C.CCOC1=[C-]CC=C1O[Si](C)(C)C.[Zr+2].

What is the InChIKey of (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)?

The InChIKey is DFKDKSHOCPUBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2Si.C10H15.Zr/c1-5-11-9-7-6-8-10(9)12-13(2,3)4;1-7-6-10(4,5)9(3)8(7)2;/h8H,5-6H2,1-4H3;1-5H3;/q2*-1;+2.

What are the key properties of (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)?

(5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+) has a molecular weight of 423.78 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+) is sourced from PubChem (CID 87936077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).