(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium

C21H37O3SiZr- — CID 154374789

About (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium

(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium (PubChem CID 154374789) has the molecular formula C21H37O3SiZr- and a molecular weight of 456.83 g/mol. Its IUPAC name is (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium.

Molecular Properties

• Compound Name: (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium
• PubChem CID: 154374789
• Molecular Formula: C21H37O3SiZr-
• Molecular Weight: 456.83 g/mol
• Exact Mass: 455.16
• IUPAC Name: (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium
• SMILES: [H]/[C-]=C/C1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.[Zr]
• InChI: InChI=1S/C21H37O3Si.Zr/c1-10-21(24-25(11-2,12-3)13-4)16(5)14-20(15-19(21,8)9)22-17(6)18(7)23-20;/h1,10,14,17-18H,11-13,15H2,2-9H3;/q-1
• InChIKey: HDDMUGFTSHNHON-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.83
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium?

The IUPAC name of (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium (CID 154374789) is (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium.

What is the SMILES notation for (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium?

The canonical SMILES for (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium is [H]/[C-]=C/C1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.[Zr].

What is the InChIKey of (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium?

The InChIKey is HDDMUGFTSHNHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37O3Si.Zr/c1-10-21(24-25(11-2,12-3)13-4)16(5)14-20(15-19(21,8)9)22-17(6)18(7)23-20;/h1,10,14,17-18H,11-13,15H2,2-9H3;/q-1;.

What are the key properties of (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium?

(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium has a molecular weight of 456.83 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium is sourced from PubChem (CID 154374789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).