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

C36H72O6Si6 — CID 150632523

IUPAC2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESC[SiH]1O[SiH2]O[Si](C2=CCCCCCCCC2)(C2=CCCCCCCCC2)O[Si](C)(C2=CCCCCCCCC2)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C36H72O6Si6/c1-44-37-43-38-48(35-30-24-18-12-8-13-19-25-31-35,36-32-26-20-14-9-15-21-27-33-36)42-47(6,41-46(4,5)40-45(2,3)39-44)34-28-22-16-10-7-11-17-23-29-34/h28,30,32,44H,7-27,29,31,33,43H2,1-6H3
InChIKeyIYEOFKFPLAUQHD-UHFFFAOYSA-N
MW769.48 g/mol
LogP10.67
Rot. Bonds3

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

2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 150632523) has the molecular formula C36H72O6Si6 and a molecular weight of 769.48 g/mol. Its IUPAC name is 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

Compound Name2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
PubChem CID150632523
Molecular FormulaC36H72O6Si6
Molecular Weight769.48 g/mol
Exact Mass768.39
IUPAC Name2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESC[SiH]1O[SiH2]O[Si](C2=CCCCCCCCC2)(C2=CCCCCCCCC2)O[Si](C)(C2=CCCCCCCCC2)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C36H72O6Si6/c1-44-37-43-38-48(35-30-24-18-12-8-13-19-25-31-35,36-32-26-20-14-9-15-21-27-33-36)42-47(6,41-46(4,5)40-45(2,3)39-44)34-28-22-16-10-7-11-17-23-29-34/h28,30,32,44H,7-27,29,31,33,43H2,1-6H3
InChIKeyIYEOFKFPLAUQHD-UHFFFAOYSA-N
XLogP10.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.48
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The IUPAC name of 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 150632523) is 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.
What is the SMILES notation for 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The canonical SMILES for 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is C[SiH]1O[SiH2]O[Si](C2=CCCCCCCCC2)(C2=CCCCCCCCC2)O[Si](C)(C2=CCCCCCCCC2)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The InChIKey is IYEOFKFPLAUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O6Si6/c1-44-37-43-38-48(35-30-24-18-12-8-13-19-25-31-35,36-32-26-20-14-9-15-21-27-33-36)42-47(6,41-46(4,5)40-45(2,3)39-44)34-28-22-16-10-7-11-17-23-29-34/h28,30,32,44H,7-27,29,31,33,43H2,1-6H3.
What are the key properties of 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 769.48 g/mol, XLogP of 10.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-tri(cyclodecen-1-yl)-4,6,6,8,8,10-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 150632523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).