(E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol

C42H82O7Si2 — CID 10628908

IUPAC(E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol
SMILESCCCCCCCC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCCCCCCO)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C42H82O7Si2/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/h21-22,24-25,37-43H,8-20,23,26-36H2,1-7H3/b24-21+,25-22+/t37-,38-,39-,40-,41-,42-/m1/s1
InChIKeySQURSZSTICKJJI-RLTBCBHNSA-N
MW755.28 g/mol
LogP11.06
Rot. Bonds32

About (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol

(E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol (PubChem CID 10628908) has the molecular formula C42H82O7Si2 and a molecular weight of 755.28 g/mol. Its IUPAC name is (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol.

Molecular Properties

Compound Name(E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol
PubChem CID10628908
Molecular FormulaC42H82O7Si2
Molecular Weight755.28 g/mol
Exact Mass754.56
IUPAC Name(E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol
SMILESCCCCCCCC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCCCCCCO)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C42H82O7Si2/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/h21-22,24-25,37-43H,8-20,23,26-36H2,1-7H3/b24-21+,25-22+/t37-,38-,39-,40-,41-,42-/m1/s1
InChIKeySQURSZSTICKJJI-RLTBCBHNSA-N
XLogP11.06
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.28
LogP ≤ 511.06
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol?
The IUPAC name of (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol (CID 10628908) is (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol.
What is the SMILES notation for (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol?
The canonical SMILES for (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol is CCCCCCCC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCCCCCCO)OCOCC[Si](C)(C)C)O2)O1.
What is the InChIKey of (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol?
The InChIKey is SQURSZSTICKJJI-RLTBCBHNSA-N. The full InChI is InChI=1S/C42H82O7Si2/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/h21-22,24-25,37-43H,8-20,23,26-36H2,1-7H3/b24-21+,25-22+/t37-,38-,39-,40-,41-,42-/m1/s1.
What are the key properties of (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol?
(E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol has a molecular weight of 755.28 g/mol, XLogP of 11.06, 32 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E,11R)-11-(2-trimethylsilylethoxymethoxy)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]undec-9-en-1-ol is sourced from PubChem (CID 10628908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).