2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C53H96O16Si12 — CID 158438167

About 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 158438167) has the molecular formula C53H96O16Si12 and a molecular weight of 1326.37 g/mol. Its IUPAC name is 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

• Compound Name: 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• PubChem CID: 158438167
• Molecular Formula: C53H96O16Si12
• Molecular Weight: 1326.37 g/mol
• Exact Mass: 1324.39
• IUPAC Name: 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• SMILES: COc1ccc(C(C)(C)c2ccc(OCCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)cc2)cc1.C[SiH]1O[SiH](C)O[Si](C)(CCCOc2ccc(C(C)(C)c3ccc(OCCC[Si]4(C)O[SiH](C)O[Si](C)(C)O[SiH](C)O4)cc3)cc2)O[SiH](C)O1
• InChI: InChI=1S/C30H58O10Si8.C23H38O6Si4/c1-30(2,26-14-18-28(19-15-26)31-22-12-24-47(10)37-42(4)33-41(3)34-43(5)38-47)27-16-20-29(21-17-27)32-23-13-25-48(11)39-44(6)35-46(8,9)36-45(7)40-48;1-23(2,19-9-13-21(24-3)14-10-19)20-11-15-22(16-12-20)25-17-8-18-33(7)28-31(5)26-30(4)27-32(6)29-33/h14-21,41-45H,12-13,22-25H2,1-11H3;9-16,30-32H,8,17-18H2,1-7H3
• InChIKey: HCMHEICAMHBFOA-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1326.37
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The IUPAC name of 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 158438167) is 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

What is the SMILES notation for 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The canonical SMILES for 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is COc1ccc(C(C)(C)c2ccc(OCCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)cc2)cc1.C[SiH]1O[SiH](C)O[Si](C)(CCCOc2ccc(C(C)(C)c3ccc(OCCC[Si]4(C)O[SiH](C)O[Si](C)(C)O[SiH](C)O4)cc3)cc2)O[SiH](C)O1.

What is the InChIKey of 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The InChIKey is HCMHEICAMHBFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O10Si8.C23H38O6Si4/c1-30(2,26-14-18-28(19-15-26)31-22-12-24-47(10)37-42(4)33-41(3)34-43(5)38-47)27-16-20-29(21-17-27)32-23-13-25-48(11)39-44(6)35-46(8,9)36-45(7)40-48;1-23(2,19-9-13-21(24-3)14-10-19)20-11-15-22(16-12-20)25-17-8-18-33(7)28-31(5)26-30(4)27-32(6)29-33/h14-21,41-45H,12-13,22-25H2,1-11H3;9-16,30-32H,8,17-18H2,1-7H3.

What are the key properties of 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 1326.37 g/mol, XLogP of 10.30, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,8-pentamethyl-6-[3-[4-[2-[4-[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 158438167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).