trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane

C44H88O7Si2 — CID 10723957

IUPACtrimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
SMILESCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCC[C@@H]3CO3)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C44H88O7Si2/c1-8-9-10-11-12-16-19-22-25-39(48-36-45-31-33-52(2,3)4)41-27-29-43(50-41)44-30-28-42(51-44)40(49-37-46-32-34-53(5,6)7)26-23-20-17-14-13-15-18-21-24-38-35-47-38/h38-44H,8-37H2,1-7H3/t38-,39-,40-,41-,42-,43-,44-/m1/s1
InChIKeyXCFGUFJEAMJMJC-DQVPDUJDSA-N
MW785.35 g/mol
LogP12.31
Rot. Bonds35

About trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane

trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane (PubChem CID 10723957) has the molecular formula C44H88O7Si2 and a molecular weight of 785.35 g/mol. Its IUPAC name is trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
PubChem CID10723957
Molecular FormulaC44H88O7Si2
Molecular Weight785.35 g/mol
Exact Mass784.61
IUPAC Nametrimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
SMILESCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCC[C@@H]3CO3)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C44H88O7Si2/c1-8-9-10-11-12-16-19-22-25-39(48-36-45-31-33-52(2,3)4)41-27-29-43(50-41)44-30-28-42(51-44)40(49-37-46-32-34-53(5,6)7)26-23-20-17-14-13-15-18-21-24-38-35-47-38/h38-44H,8-37H2,1-7H3/t38-,39-,40-,41-,42-,43-,44-/m1/s1
InChIKeyXCFGUFJEAMJMJC-DQVPDUJDSA-N
XLogP12.31
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds35
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.35
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane (CID 10723957) is trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane is CCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCC[C@@H]3CO3)OCOCC[Si](C)(C)C)O2)O1.
What is the InChIKey of trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane?
The InChIKey is XCFGUFJEAMJMJC-DQVPDUJDSA-N. The full InChI is InChI=1S/C44H88O7Si2/c1-8-9-10-11-12-16-19-22-25-39(48-36-45-31-33-52(2,3)4)41-27-29-43(50-41)44-30-28-42(51-44)40(49-37-46-32-34-53(5,6)7)26-23-20-17-14-13-15-18-21-24-38-35-47-38/h38-44H,8-37H2,1-7H3/t38-,39-,40-,41-,42-,43-,44-/m1/s1.
What are the key properties of trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane?
trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane has a molecular weight of 785.35 g/mol, XLogP of 12.31, 35 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-11-[(2R)-oxiran-2-yl]-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane is sourced from PubChem (CID 10723957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).