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

C42H82O8Si2 — CID 10581039

IUPAC(E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol
SMILESC[Si](C)(C)CCOCO[C@H](/C=C/CCCCCCCCO)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCCCCCCO)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C42H82O8Si2/c1-51(2,3)33-31-45-35-47-37(23-19-15-11-7-9-13-17-21-29-43)39-25-27-41(49-39)42-28-26-40(50-42)38(48-36-46-32-34-52(4,5)6)24-20-16-12-8-10-14-18-22-30-44/h19-20,23-24,37-44H,7-18,21-22,25-36H2,1-6H3/b23-19+,24-20+/t37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyRMVSDIRQHSANNE-VBVJUWOXSA-N
MW771.28 g/mol
LogP10.03
Rot. Bonds33

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

(E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol (PubChem CID 10581039) has the molecular formula C42H82O8Si2 and a molecular weight of 771.28 g/mol. Its IUPAC name is (E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol.

Molecular Properties

Compound Name(E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol
PubChem CID10581039
Molecular FormulaC42H82O8Si2
Molecular Weight771.28 g/mol
Exact Mass770.55
IUPAC Name(E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol
SMILESC[Si](C)(C)CCOCO[C@H](/C=C/CCCCCCCCO)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCCCCCCO)OCOCC[Si](C)(C)C)O2)O1
InChIInChI=1S/C42H82O8Si2/c1-51(2,3)33-31-45-35-47-37(23-19-15-11-7-9-13-17-21-29-43)39-25-27-41(49-39)42-28-26-40(50-42)38(48-36-46-32-34-52(4,5)6)24-20-16-12-8-10-14-18-22-30-44/h19-20,23-24,37-44H,7-18,21-22,25-36H2,1-6H3/b23-19+,24-20+/t37-,38-,39-,40-,41-,42-/m1/s1
InChIKeyRMVSDIRQHSANNE-VBVJUWOXSA-N
XLogP10.03
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds33
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.28
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol?
The IUPAC name of (E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol (CID 10581039) is (E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol.
What is the SMILES notation for (E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol?
The canonical SMILES for (E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol is C[Si](C)(C)CCOCO[C@H](/C=C/CCCCCCCCO)[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-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol?
The InChIKey is RMVSDIRQHSANNE-VBVJUWOXSA-N. The full InChI is InChI=1S/C42H82O8Si2/c1-51(2,3)33-31-45-35-47-37(23-19-15-11-7-9-13-17-21-29-43)39-25-27-41(49-39)42-28-26-40(50-42)38(48-36-46-32-34-52(4,5)6)24-20-16-12-8-10-14-18-22-30-44/h19-20,23-24,37-44H,7-18,21-22,25-36H2,1-6H3/b23-19+,24-20+/t37-,38-,39-,40-,41-,42-/m1/s1.
What are the key properties of (E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol?
(E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol has a molecular weight of 771.28 g/mol, XLogP of 10.03, 33 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-11-hydroxy-1-(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-11-(2-trimethylsilylethoxymethoxy)undec-9-en-1-ol is sourced from PubChem (CID 10581039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).