2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane

C42H85IO6Si2 — CID 135046159

About 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane

2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane (PubChem CID 135046159) has the molecular formula C42H85IO6Si2 and a molecular weight of 869.21 g/mol. Its IUPAC name is 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane
• PubChem CID: 135046159
• Molecular Formula: C42H85IO6Si2
• Molecular Weight: 869.21 g/mol
• Exact Mass: 868.49
• IUPAC Name: 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane
• SMILES: CCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)C1CC[C@H]([C@H]2CCC([C@@H](CCCCCCCCCCI)OCOCC[Si](C)(C)C)O2)O1
• InChI: InChI=1S/C42H85IO6Si2/c1-8-9-10-11-12-15-18-21-24-37(46-35-44-31-33-50(2,3)4)39-26-28-41(48-39)42-29-27-40(49-42)38(47-36-45-32-34-51(5,6)7)25-22-19-16-13-14-17-20-23-30-43/h37-42H,8-36H2,1-7H3/t37-,38-,39?,40?,41-,42-/m1/s1
• InChIKey: VWYHBHIWEYDCOC-SCUTUKGOSA-N
• XLogP: 12.95
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 34
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.21
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane (CID 135046159) is 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane is CCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)C1CC[C@H]([C@H]2CCC([C@@H](CCCCCCCCCCI)OCOCC[Si](C)(C)C)O2)O1.

What is the InChIKey of 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane?

The InChIKey is VWYHBHIWEYDCOC-SCUTUKGOSA-N. The full InChI is InChI=1S/C42H85IO6Si2/c1-8-9-10-11-12-15-18-21-24-37(46-35-44-31-33-50(2,3)4)39-26-28-41(48-39)42-29-27-40(49-42)38(47-36-45-32-34-51(5,6)7)25-22-19-16-13-14-17-20-23-30-43/h37-42H,8-36H2,1-7H3/t37-,38-,39?,40?,41-,42-/m1/s1.

What are the key properties of 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane?

2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 869.21 g/mol, XLogP of 12.95, 34 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-11-iodo-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135046159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).