2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C128H230O29Si15 — CID 161466989

IUPAC2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1.C[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1.C[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1
InChIInChI=1S/C54H96O12Si6.C45H80O10Si5.C29H54O7Si4/c1-67(25-19-37-7-13-43-49(31-37)55-43)61-68(2,26-20-38-8-14-44-50(32-38)56-44)63-70(4,28-22-40-10-16-46-52(34-40)58-46)65-72(6,30-24-42-12-18-48-54(36-42)60-48)66-71(5,29-23-41-11-17-47-53(35-41)59-47)64-69(3,62-67)27-21-39-9-15-45-51(33-39)57-45;1-56(21-16-31-6-11-36-41(26-31)46-36)51-57(2,22-17-32-7-12-37-42(27-32)47-37)53-59(4,24-19-34-9-14-39-44(29-34)49-39)55-60(5,25-20-35-10-15-40-45(30-35)50-40)54-58(3,52-56)23-18-33-8-13-38-43(28-33)48-38;1-37(2)33-38(3,15-12-21-6-9-24-27(18-21)30-24)35-40(5,17-14-23-8-11-26-29(20-23)32-26)36-39(4,34-37)16-13-22-7-10-25-28(19-22)31-25/h37-54H,7-36H2,1-6H3;31-45H,6-30H2,1-5H3;21-29H,6-20H2,1-5H3
InChIKeyWCOKEUKLZDXFEO-UHFFFAOYSA-N
MW2654.51 g/mol
LogP29.37
Rot. Bonds42

About 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 161466989) has the molecular formula C128H230O29Si15 and a molecular weight of 2654.51 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID161466989
Molecular FormulaC128H230O29Si15
Molecular Weight2654.51 g/mol
Exact Mass2651.31
IUPAC Name2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1.C[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1.C[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1
InChIInChI=1S/C54H96O12Si6.C45H80O10Si5.C29H54O7Si4/c1-67(25-19-37-7-13-43-49(31-37)55-43)61-68(2,26-20-38-8-14-44-50(32-38)56-44)63-70(4,28-22-40-10-16-46-52(34-40)58-46)65-72(6,30-24-42-12-18-48-54(36-42)60-48)66-71(5,29-23-41-11-17-47-53(35-41)59-47)64-69(3,62-67)27-21-39-9-15-45-51(33-39)57-45;1-56(21-16-31-6-11-36-41(26-31)46-36)51-57(2,22-17-32-7-12-37-42(27-32)47-37)53-59(4,24-19-34-9-14-39-44(29-34)49-39)55-60(5,25-20-35-10-15-40-45(30-35)50-40)54-58(3,52-56)23-18-33-8-13-38-43(28-33)48-38;1-37(2)33-38(3,15-12-21-6-9-24-27(18-21)30-24)35-40(5,17-14-23-8-11-26-29(20-23)32-26)36-39(4,34-37)16-13-22-7-10-25-28(19-22)31-25/h37-54H,7-36H2,1-6H3;31-45H,6-30H2,1-5H3;21-29H,6-20H2,1-5H3
InChIKeyWCOKEUKLZDXFEO-UHFFFAOYSA-N
XLogP29.37
TPSA313.87 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002654.51
LogP ≤ 529.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 161466989) is 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1.C[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1.C[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O1.
What is the InChIKey of 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is WCOKEUKLZDXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H96O12Si6.C45H80O10Si5.C29H54O7Si4/c1-67(25-19-37-7-13-43-49(31-37)55-43)61-68(2,26-20-38-8-14-44-50(32-38)56-44)63-70(4,28-22-40-10-16-46-52(34-40)58-46)65-72(6,30-24-42-12-18-48-54(36-42)60-48)66-71(5,29-23-41-11-17-47-53(35-41)59-47)64-69(3,62-67)27-21-39-9-15-45-51(33-39)57-45;1-56(21-16-31-6-11-36-41(26-31)46-36)51-57(2,22-17-32-7-12-37-42(27-32)47-37)53-59(4,24-19-34-9-14-39-44(29-34)49-39)55-60(5,25-20-35-10-15-40-45(30-35)50-40)54-58(3,52-56)23-18-33-8-13-38-43(28-33)48-38;1-37(2)33-38(3,15-12-21-6-9-24-27(18-21)30-24)35-40(5,17-14-23-8-11-26-29(20-23)32-26)36-39(4,34-37)16-13-22-7-10-25-28(19-22)31-25/h37-54H,7-36H2,1-6H3;31-45H,6-30H2,1-5H3;21-29H,6-20H2,1-5H3.
What are the key properties of 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 2654.51 g/mol, XLogP of 29.37, 42 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,12-hexamethyl-2,4,6,8,10,12-hexakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane;2,4,6,8,10-pentamethyl-2,4,6,8,10-pentakis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2,2,4,6,8-pentamethyl-4,6,8-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 161466989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).