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

C33H63O3SiZr — CID 162292577

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

carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) (PubChem CID 162292577) has the molecular formula C33H63O3SiZr and a molecular weight of 627.17 g/mol. Its IUPAC name is carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+).

Molecular Properties

• Compound Name: carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)
• PubChem CID: 162292577
• Molecular Formula: C33H63O3SiZr
• Molecular Weight: 627.17 g/mol
• Exact Mass: 625.36
• IUPAC Name: carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)
• SMILES: C1CCCC1.C1CCCC1.[CH3-].[CH3-].[H]/[C-]=C\C1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.[Zr+3]
• InChI: InChI=1S/C21H37O3Si.2C5H10.2CH3.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;2*1-2-4-5-3-1;;;/h1,10,14,17-18H,11-13,15H2,2-9H3;2*1-5H2;2*1H3;/q-1;;;2*-1;+3
• InChIKey: GADMBGXPQBYAGG-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.17
LogP ≤ 5	10.43
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 carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)?

The IUPAC name of carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) (CID 162292577) is carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+).

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

The canonical SMILES for carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) is C1CCCC1.C1CCCC1.[CH3-].[CH3-].[H]/[C-]=C\C1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.[Zr+3].

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

The InChIKey is GADMBGXPQBYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37O3Si.2C5H10.2CH3.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;2*1-2-4-5-3-1;;;/h1,10,14,17-18H,11-13,15H2,2-9H3;2*1-5H2;2*1H3;/q-1;;;2*-1;+3.

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

carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) has a molecular weight of 627.17 g/mol, XLogP of 10.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) is sourced from PubChem (CID 162292577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).