1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol

C57H128O15Si6 — CID 59798718

About 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol

1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol (PubChem CID 59798718) has the molecular formula C57H128O15Si6 and a molecular weight of 1222.15 g/mol. Its IUPAC name is 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol.

Molecular Properties

• Compound Name: 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol
• PubChem CID: 59798718
• Molecular Formula: C57H128O15Si6
• Molecular Weight: 1222.15 g/mol
• Exact Mass: 1220.79
• IUPAC Name: 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol
• SMILES: CCC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CC(C)C(C)(CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CC)C(C)CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CC
• InChI: InChI=1S/C57H128O15Si6/c1-19-51(58)43-64-28-22-34-73(7,8)70-76(13,14)37-25-31-67-46-54(61)40-49(4)57(6,42-56(63)48-69-33-27-39-78(17,18)72-75(11,12)36-24-30-66-45-53(60)21-3)50(5)41-55(62)47-68-32-26-38-77(15,16)71-74(9,10)35-23-29-65-44-52(59)20-2/h49-56,58-63H,19-48H2,1-18H3
• InChIKey: JKAXIQIYJNILJO-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 204.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 53
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1222.15
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

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 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol?

The IUPAC name of 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol (CID 59798718) is 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol.

What is the SMILES notation for 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol?

The canonical SMILES for 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol is CCC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CC(C)C(C)(CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CC)C(C)CC(O)COCCC[Si](C)(C)O[Si](C)(C)CCCOCC(O)CC.

What is the InChIKey of 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol?

The InChIKey is JKAXIQIYJNILJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H128O15Si6/c1-19-51(58)43-64-28-22-34-73(7,8)70-76(13,14)37-25-31-67-46-54(61)40-49(4)57(6,42-56(63)48-69-33-27-39-78(17,18)72-75(11,12)36-24-30-66-45-53(60)21-3)50(5)41-55(62)47-68-32-26-38-77(15,16)71-74(9,10)35-23-29-65-44-52(59)20-2/h49-56,58-63H,19-48H2,1-18H3.

What are the key properties of 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol?

1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol has a molecular weight of 1222.15 g/mol, XLogP of 11.55, 53 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,9-bis[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-5-[2-hydroxy-3-[3-[[3-(2-hydroxybutoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]-4,5,6-trimethylnonane-2,8-diol is sourced from PubChem (CID 59798718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).