6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate

C30H62O5Si2 — CID 59383603

About 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate

6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate (PubChem CID 59383603) has the molecular formula C30H62O5Si2 and a molecular weight of 558.99 g/mol. Its IUPAC name is 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate.

Molecular Properties

• Compound Name: 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate
• PubChem CID: 59383603
• Molecular Formula: C30H62O5Si2
• Molecular Weight: 558.99 g/mol
• Exact Mass: 558.41
• IUPAC Name: 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate
• SMILES: CCCC[Si](C)(C)CC(C)(C)O[Si](C)(C)CCCOC(=O)C(C)C(C)CC(C)(CC)C(=O)OCC(C)C
• InChI: InChI=1S/C30H62O5Si2/c1-14-16-19-36(10,11)23-29(7,8)35-37(12,13)20-17-18-33-27(31)26(6)25(5)21-30(9,15-2)28(32)34-22-24(3)4/h24-26H,14-23H2,1-13H3
• InChIKey: YKIPVQASLGMMID-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.99
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate?

The IUPAC name of 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate (CID 59383603) is 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate.

What is the SMILES notation for 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate?

The canonical SMILES for 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate is CCCC[Si](C)(C)CC(C)(C)O[Si](C)(C)CCCOC(=O)C(C)C(C)CC(C)(CC)C(=O)OCC(C)C.

What is the InChIKey of 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate?

The InChIKey is YKIPVQASLGMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O5Si2/c1-14-16-19-36(10,11)23-29(7,8)35-37(12,13)20-17-18-33-27(31)26(6)25(5)21-30(9,15-2)28(32)34-22-24(3)4/h24-26H,14-23H2,1-13H3.

What are the key properties of 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate?

6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate has a molecular weight of 558.99 g/mol, XLogP of 8.71, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-O-[3-[[1-[butyl(dimethyl)silyl]-2-methylpropan-2-yl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate is sourced from PubChem (CID 59383603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).