tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane

C36H80O6Si7 — CID 151702906

About tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane

tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane (PubChem CID 151702906) has the molecular formula C36H80O6Si7 and a molecular weight of 805.63 g/mol. Its IUPAC name is tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane.

Molecular Properties

• Compound Name: tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane
• PubChem CID: 151702906
• Molecular Formula: C36H80O6Si7
• Molecular Weight: 805.63 g/mol
• Exact Mass: 804.43
• IUPAC Name: tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane
• SMILES: C[SiH]1O[SiH2]O[SiH2]O[Si](C)([Si](C2CCCCCCCCC2)(C2CCCCCCCCC2)C2CCCCCCCCC2)O[Si](C)(C)O[Si](C)(C)O1
• InChI: InChI=1S/C36H80O6Si7/c1-45-38-43-37-44-39-48(6,42-47(4,5)41-46(2,3)40-45)49(34-28-22-16-10-7-11-17-23-29-34,35-30-24-18-12-8-13-19-25-31-35)36-32-26-20-14-9-15-21-27-33-36/h34-36,45H,7-33,43-44H2,1-6H3
• InChIKey: REZDPMYWEKHDTK-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.63
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane?

The IUPAC name of tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane (CID 151702906) is tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane.

What is the SMILES notation for tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane?

The canonical SMILES for tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane is C[SiH]1O[SiH2]O[SiH2]O[Si](C)([Si](C2CCCCCCCCC2)(C2CCCCCCCCC2)C2CCCCCCCCC2)O[Si](C)(C)O[Si](C)(C)O1.

What is the InChIKey of tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane?

The InChIKey is REZDPMYWEKHDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H80O6Si7/c1-45-38-43-37-44-39-48(6,42-47(4,5)41-46(2,3)40-45)49(34-28-22-16-10-7-11-17-23-29-34,35-30-24-18-12-8-13-19-25-31-35)36-32-26-20-14-9-15-21-27-33-36/h34-36,45H,7-33,43-44H2,1-6H3.

What are the key properties of tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane?

tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane has a molecular weight of 805.63 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tri(cyclodecyl)-(2,4,4,6,6,8-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)silane is sourced from PubChem (CID 151702906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).