trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane

C44H88O6Si2 — CID 134901649

About trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane

trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane (PubChem CID 134901649) has the molecular formula C44H88O6Si2 and a molecular weight of 769.35 g/mol. Its IUPAC name is trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
• PubChem CID: 134901649
• Molecular Formula: C44H88O6Si2
• Molecular Weight: 769.35 g/mol
• Exact Mass: 768.61
• IUPAC Name: trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
• SMILES: C=CCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)C1CC[C@H]([C@H]2CCC([C@@H](CCCCCCCCCC)OCOCC[Si](C)(C)C)O2)O1
• InChI: InChI=1S/C44H88O6Si2/c1-9-11-13-15-17-19-20-22-24-26-28-40(48-38-46-34-36-52(6,7)8)42-30-32-44(50-42)43-31-29-41(49-43)39(47-37-45-33-35-51(3,4)5)27-25-23-21-18-16-14-12-10-2/h9,39-44H,1,10-38H2,2-8H3/t39-,40-,41?,42?,43-,44-/m1/s1
• InChIKey: YCAAYIKMKPVNQL-WQJLQRHXSA-N
• XLogP: 13.09
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 35
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.35
LogP ≤ 5	13.09
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane (CID 134901649) is trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane is C=CCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)C1CC[C@H]([C@H]2CCC([C@@H](CCCCCCCCCC)OCOCC[Si](C)(C)C)O2)O1.

What is the InChIKey of trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane?

The InChIKey is YCAAYIKMKPVNQL-WQJLQRHXSA-N. The full InChI is InChI=1S/C44H88O6Si2/c1-9-11-13-15-17-19-20-22-24-26-28-40(48-38-46-34-36-52(6,7)8)42-30-32-44(50-42)43-31-29-41(49-43)39(47-37-45-33-35-51(3,4)5)27-25-23-21-18-16-14-12-10-2/h9,39-44H,1,10-38H2,2-8H3/t39-,40-,41?,42?,43-,44-/m1/s1.

What are the key properties of trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane?

trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane has a molecular weight of 769.35 g/mol, XLogP of 13.09, 35 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane is sourced from PubChem (CID 134901649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).