2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

C32H44O6Si6 — CID 6429723

IUPAC2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](C)(C)O1
InChIInChI=1S/C32H44O6Si6/c1-39(2)33-40(3,4)35-42(7,8)37-44(31-25-17-11-18-26-31,32-27-19-12-20-28-32)38-43(36-41(5,6)34-39,29-21-13-9-14-22-29)30-23-15-10-16-24-30/h9-28H,1-8H3
InChIKeyAJWGXDFZHTUSPR-UHFFFAOYSA-N
MW693.21 g/mol
LogP5.42
Rot. Bonds4

About 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 6429723) has the molecular formula C32H44O6Si6 and a molecular weight of 693.21 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
PubChem CID6429723
Molecular FormulaC32H44O6Si6
Molecular Weight693.21 g/mol
Exact Mass692.18
IUPAC Name2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](C)(C)O1
InChIInChI=1S/C32H44O6Si6/c1-39(2)33-40(3,4)35-42(7,8)37-44(31-25-17-11-18-26-31,32-27-19-12-20-28-32)38-43(36-41(5,6)34-39,29-21-13-9-14-22-29)30-23-15-10-16-24-30/h9-28H,1-8H3
InChIKeyAJWGXDFZHTUSPR-UHFFFAOYSA-N
XLogP5.42
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.21
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The IUPAC name of 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 6429723) is 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The canonical SMILES for 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The InChIKey is AJWGXDFZHTUSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44O6Si6/c1-39(2)33-40(3,4)35-42(7,8)37-44(31-25-17-11-18-26-31,32-27-19-12-20-28-32)38-43(36-41(5,6)34-39,29-21-13-9-14-22-29)30-23-15-10-16-24-30/h9-28H,1-8H3.
What are the key properties of 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 693.21 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octamethyl-10,10,12,12-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 6429723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).