2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C56H90O14Si8 — CID 59593966

About 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 59593966) has the molecular formula C56H90O14Si8 and a molecular weight of 1212.01 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

• Compound Name: 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• PubChem CID: 59593966
• Molecular Formula: C56H90O14Si8
• Molecular Weight: 1212.01 g/mol
• Exact Mass: 1210.45
• IUPAC Name: 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• SMILES: C=CCOc1ccc(Cc2ccc(CCCCOCCC[Si]3(C)O[SiH](C)O[SiH](C)O[Si](C)(CCCOc4ccc(Cc5ccc(OCCC[Si]6(C)O[SiH](C)O[SiH](C)O[Si](C)(CCCOCC7CO7)O6)cc5)cc4)O3)cc2)cc1
• InChI: InChI=1S/C56H90O14Si8/c1-10-34-59-53-28-22-50(23-29-53)44-49-20-18-48(19-21-49)17-11-12-35-57-36-13-40-75(6)65-71(2)63-73(4)67-77(8,69-75)42-15-38-60-54-30-24-51(25-31-54)45-52-26-32-55(33-27-52)61-39-16-43-78(9)68-74(5)64-72(3)66-76(7,70-78)41-14-37-58-46-56-47-62-56/h10,18-33,56,71-74H,1,11-17,34-47H2,2-9H3
• InChIKey: LEAAQKVKJLKHSR-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 132.52 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1212.01
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The IUPAC name of 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 59593966) is 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

What is the SMILES notation for 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The canonical SMILES for 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C=CCOc1ccc(Cc2ccc(CCCCOCCC[Si]3(C)O[SiH](C)O[SiH](C)O[Si](C)(CCCOc4ccc(Cc5ccc(OCCC[Si]6(C)O[SiH](C)O[SiH](C)O[Si](C)(CCCOCC7CO7)O6)cc5)cc4)O3)cc2)cc1.

What is the InChIKey of 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The InChIKey is LEAAQKVKJLKHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H90O14Si8/c1-10-34-59-53-28-22-50(23-29-53)44-49-20-18-48(19-21-49)17-11-12-35-57-36-13-40-75(6)65-71(2)63-73(4)67-77(8,69-75)42-15-38-60-54-30-24-51(25-31-54)45-52-26-32-55(33-27-52)61-39-16-43-78(9)68-74(5)64-72(3)66-76(7,70-78)41-14-37-58-46-56-47-62-56/h10,18-33,56,71-74H,1,11-17,34-47H2,2-9H3.

What are the key properties of 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 1212.01 g/mol, XLogP of 11.06, 32 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6,8-tetramethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-4-[3-[4-[[4-[3-[2,4,6,8-tetramethyl-4-[3-[4-[4-[(4-prop-2-enoxyphenyl)methyl]phenyl]butoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 59593966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).