2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

C35H80O10Si5 — CID 68656532

About 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (PubChem CID 68656532) has the molecular formula C35H80O10Si5 and a molecular weight of 801.44 g/mol. Its IUPAC name is 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

Molecular Properties

• Compound Name: 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
• PubChem CID: 68656532
• Molecular Formula: C35H80O10Si5
• Molecular Weight: 801.44 g/mol
• Exact Mass: 800.46
• IUPAC Name: 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
• SMILES: CC(C)O[Si]1(C(C)(C)C)O[Si](OC(C)C)(C(C)(C)C)O[Si](OC(C)C)(C(C)(C)C)O[Si](OC(C)C)(C(C)(C)C)O[Si](OC(C)C)(C(C)(C)C)O1
• InChI: InChI=1S/C35H80O10Si5/c1-26(2)36-46(31(11,12)13)41-47(32(14,15)16,37-27(3)4)43-49(34(20,21)22,39-29(7)8)45-50(35(23,24)25,40-30(9)10)44-48(42-46,33(17,18)19)38-28(5)6/h26-30H,1-25H3
• InChIKey: ALVHZEFRKVONIG-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.44
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?

The IUPAC name of 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (CID 68656532) is 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

What is the SMILES notation for 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?

The canonical SMILES for 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is CC(C)O[Si]1(C(C)(C)C)O[Si](OC(C)C)(C(C)(C)C)O[Si](OC(C)C)(C(C)(C)C)O[Si](OC(C)C)(C(C)(C)C)O[Si](OC(C)C)(C(C)(C)C)O1.

What is the InChIKey of 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?

The InChIKey is ALVHZEFRKVONIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H80O10Si5/c1-26(2)36-46(31(11,12)13)41-47(32(14,15)16,37-27(3)4)43-49(34(20,21)22,39-29(7)8)45-50(35(23,24)25,40-30(9)10)44-48(42-46,33(17,18)19)38-28(5)6/h26-30H,1-25H3.

What are the key properties of 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?

2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane has a molecular weight of 801.44 g/mol, XLogP of 10.90, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6,8,10-pentatert-butyl-2,4,6,8,10-penta(propan-2-yloxy)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is sourced from PubChem (CID 68656532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).