tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane

C31H86O13Si14 — CID 19013181

About tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane

tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane (PubChem CID 19013181) has the molecular formula C31H86O13Si14 and a molecular weight of 1060.22 g/mol. Its IUPAC name is tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane.

Molecular Properties

• Compound Name: tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane
• PubChem CID: 19013181
• Molecular Formula: C31H86O13Si14
• Molecular Weight: 1060.22 g/mol
• Exact Mass: 1058.28
• IUPAC Name: tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane
• SMILES: C[Si](C)(O)CC[Si](CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)(CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
• InChI: InChI=1S/C31H86O13Si14/c1-45(2,32)24-28-58(29-25-55(21)39-49(9,10)33-46(3,4)34-50(11,12)40-55,30-26-56(22)41-51(13,14)35-47(5,6)36-52(15,16)42-56)31-27-57(23)43-53(17,18)37-48(7,8)38-54(19,20)44-57/h32H,24-31H2,1-23H3
• InChIKey: RGLHYSSVYWVSHU-UHFFFAOYSA-N
• XLogP: 10.40
• TPSA: 130.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1060.22
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane?

The IUPAC name of tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane (CID 19013181) is tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane.

What is the SMILES notation for tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane?

The canonical SMILES for tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane is C[Si](C)(O)CC[Si](CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)(CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)CC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.

What is the InChIKey of tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane?

The InChIKey is RGLHYSSVYWVSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H86O13Si14/c1-45(2,32)24-28-58(29-25-55(21)39-49(9,10)33-46(3,4)34-50(11,12)40-55,30-26-56(22)41-51(13,14)35-47(5,6)36-52(15,16)42-56)31-27-57(23)43-53(17,18)37-48(7,8)38-54(19,20)44-57/h32H,24-31H2,1-23H3.

What are the key properties of tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane?

tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane has a molecular weight of 1060.22 g/mol, XLogP of 10.40, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane is sourced from PubChem (CID 19013181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).