(11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol

C42H86O7Si2 — CID 10652707

IUPAC(11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCO)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C42H86O7Si2/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/h37-43H,8-36H2,1-7H3/t37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyHLBULIPKOICPNX-GIEDQAFWSA-N
MW759.31 g/mol
LogP11.51
Rot. Bonds34

About (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol

(11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol (PubChem CID 10652707) has the molecular formula C42H86O7Si2 and a molecular weight of 759.31 g/mol. Its IUPAC name is (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol.

Molecular Properties

Compound Name(11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
PubChem CID10652707
Molecular FormulaC42H86O7Si2
Molecular Weight759.31 g/mol
Exact Mass758.59
IUPAC Name(11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCO)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C42H86O7Si2/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/h37-43H,8-36H2,1-7H3/t37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyHLBULIPKOICPNX-GIEDQAFWSA-N
XLogP11.51
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds34
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.31
LogP ≤ 511.51
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol?
The IUPAC name of (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol (CID 10652707) is (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol.
What is the SMILES notation for (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol?
The canonical SMILES for (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol is CCCCCCCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCO)OCOCC[Si](C)(C)C)O2)O1.
What is the InChIKey of (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol?
The InChIKey is HLBULIPKOICPNX-GIEDQAFWSA-N. The full InChI is InChI=1S/C42H86O7Si2/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/h37-43H,8-36H2,1-7H3/t37-,38-,39-,40-,41-,42-/m1/s1.
What are the key properties of (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol?
(11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol has a molecular weight of 759.31 g/mol, XLogP of 11.51, 34 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol is sourced from PubChem (CID 10652707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).