tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane

C34H70O2Si3 — CID 177269518

About tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane

tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane (PubChem CID 177269518) has the molecular formula C34H70O2Si3 and a molecular weight of 595.19 g/mol. Its IUPAC name is tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane
• PubChem CID: 177269518
• Molecular Formula: C34H70O2Si3
• Molecular Weight: 595.19 g/mol
• Exact Mass: 594.47
• IUPAC Name: tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane
• SMILES: CCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(/C=C/CCC#C[Si](C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C34H70O2Si3/c1-17-18-21-24-33(35-38(27(2)3,28(4)5)29(6)7)34(25-22-19-20-23-26-37(14,15)16)36-39(30(8)9,31(10)11)32(12)13/h22,25,27-34H,17-21,24H2,1-16H3/b25-22+
• InChIKey: HCEOKVQGYQGJEC-YYDJUVGSSA-N
• XLogP: 11.91
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 18
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.19
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane?

The IUPAC name of tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane (CID 177269518) is tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane.

What is the SMILES notation for tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane?

The canonical SMILES for tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane is CCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(/C=C/CCC#C[Si](C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane?

The InChIKey is HCEOKVQGYQGJEC-YYDJUVGSSA-N. The full InChI is InChI=1S/C34H70O2Si3/c1-17-18-21-24-33(35-38(27(2)3,28(4)5)29(6)7)34(25-22-19-20-23-26-37(14,15)16)36-39(30(8)9,31(10)11)32(12)13/h22,25,27-34H,17-21,24H2,1-16H3/b25-22+.

What are the key properties of tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane?

tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane has a molecular weight of 595.19 g/mol, XLogP of 11.91, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane is sourced from PubChem (CID 177269518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).