2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane

C40H72O8Si4 — CID 140688696

About 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane

2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane (PubChem CID 140688696) has the molecular formula C40H72O8Si4 and a molecular weight of 793.35 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane.

Molecular Properties

• Compound Name: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane
• PubChem CID: 140688696
• Molecular Formula: C40H72O8Si4
• Molecular Weight: 793.35 g/mol
• Exact Mass: 792.43
• IUPAC Name: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane
• SMILES: C[Si]1(CCC2CCC3OC3C2)CCCCO[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1
• InChI: InChI=1S/C40H72O8Si4/c1-49(21-15-29-7-11-33-37(25-29)42-33)20-6-5-19-41-50(2,22-16-30-8-12-34-38(26-30)43-34)47-52(4,24-18-32-10-14-36-40(28-32)45-36)48-51(3,46-49)23-17-31-9-13-35-39(27-31)44-35/h29-40H,5-28H2,1-4H3
• InChIKey: LSUXXWJLOHZQAV-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 87.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.35
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane?

The IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane (CID 140688696) is 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane.

What is the SMILES notation for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane?

The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane is C[Si]1(CCC2CCC3OC3C2)CCCCO[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1.

What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane?

The InChIKey is LSUXXWJLOHZQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H72O8Si4/c1-49(21-15-29-7-11-33-37(25-29)42-33)20-6-5-19-41-50(2,22-16-30-8-12-34-38(26-30)43-34)47-52(4,24-18-32-10-14-36-40(28-32)45-36)48-51(3,46-49)23-17-31-9-13-35-39(27-31)44-35/h29-40H,5-28H2,1-4H3.

What are the key properties of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane?

2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane has a molecular weight of 793.35 g/mol, XLogP of 9.47, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7-tetraoxa-2,4,6,8-tetrasilacyclododecane is sourced from PubChem (CID 140688696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).