2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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

C66H118O21Si8 — CID 59428806

About 2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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 59428806) has the molecular formula C66H118O21Si8 and a molecular weight of 1472.34 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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: 59428806
• Molecular Formula: C66H118O21Si8
• Molecular Weight: 1472.34 g/mol
• Exact Mass: 1470.63
• IUPAC Name: 2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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: CC(C)(c1ccc(OCCC[Si]2(C)O[Si](C)(CCCOCC3CO3)O[Si](C)(CCCOCC3CC3)O[Si](C)(CCCOCC3CO3)O2)cc1)c1ccc(OCCC[Si]2(C)O[Si](C)(CCCOCC3CO3)O[Si](C)(CCCOCC3CO3)O[Si](C)(CCCOCC3CO3)O2)cc1
• InChI: InChI=1S/C66H118O21Si8/c1-66(2,57-21-25-59(26-22-57)73-35-17-43-94(9)84-90(5,39-13-31-69-47-62-52-76-62)80-88(3,37-11-29-67-45-56-19-20-56)81-91(6,85-94)40-14-32-70-48-63-53-77-63)58-23-27-60(28-24-58)74-36-18-44-95(10)86-92(7,41-15-33-71-49-64-54-78-64)82-89(4,38-12-30-68-46-61-51-75-61)83-93(8,87-95)42-16-34-72-50-65-55-79-65/h21-28,56,61-65H,11-20,29-55H2,1-10H3
• InChIKey: QPLVROJOAMLZMK-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 210.33 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 48
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.34
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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 59428806) is 2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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 CC(C)(c1ccc(OCCC[Si]2(C)O[Si](C)(CCCOCC3CO3)O[Si](C)(CCCOCC3CC3)O[Si](C)(CCCOCC3CO3)O2)cc1)c1ccc(OCCC[Si]2(C)O[Si](C)(CCCOCC3CO3)O[Si](C)(CCCOCC3CO3)O[Si](C)(CCCOCC3CO3)O2)cc1.

What is the InChIKey of 2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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 QPLVROJOAMLZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H118O21Si8/c1-66(2,57-21-25-59(26-22-57)73-35-17-43-94(9)84-90(5,39-13-31-69-47-62-52-76-62)80-88(3,37-11-29-67-45-56-19-20-56)81-91(6,85-94)40-14-32-70-48-63-53-77-63)58-23-27-60(28-24-58)74-36-18-44-95(10)86-92(7,41-15-33-71-49-64-54-78-64)82-89(4,38-12-30-68-46-61-51-75-61)83-93(8,87-95)42-16-34-72-50-65-55-79-65/h21-28,56,61-65H,11-20,29-55H2,1-10H3.

What are the key properties of 2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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 1472.34 g/mol, XLogP of 12.13, 48 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-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 59428806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).