(6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol

C43H90O9Si3 — CID 10605526

IUPAC(6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol
SMILESCCCC[C@@H](CCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCO)OCOCC[Si](C)(C)C)O2)O1)OCOCC[Si](C)(C)C
InChIInChI=1S/C43H90O9Si3/c1-11-12-19-37(48-34-45-28-31-53(2,3)4)20-15-13-16-21-38(49-35-46-29-32-54(5,6)7)40-23-25-42(51-40)43-26-24-41(52-43)39(22-17-14-18-27-44)50-36-47-30-33-55(8,9)10/h37-44H,11-36H2,1-10H3/t37-,38+,39+,40+,41+,42+,43+/m0/s1
InChIKeyWYGROQSQTKRHTF-IHBZFKHGSA-N
MW835.44 g/mol
LogP10.87
Rot. Bonds35

About (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol

(6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol (PubChem CID 10605526) has the molecular formula C43H90O9Si3 and a molecular weight of 835.44 g/mol. Its IUPAC name is (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol.

Molecular Properties

Compound Name(6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol
PubChem CID10605526
Molecular FormulaC43H90O9Si3
Molecular Weight835.44 g/mol
Exact Mass834.59
IUPAC Name(6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol
SMILESCCCC[C@@H](CCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCO)OCOCC[Si](C)(C)C)O2)O1)OCOCC[Si](C)(C)C
InChIInChI=1S/C43H90O9Si3/c1-11-12-19-37(48-34-45-28-31-53(2,3)4)20-15-13-16-21-38(49-35-46-29-32-54(5,6)7)40-23-25-42(51-40)43-26-24-41(52-43)39(22-17-14-18-27-44)50-36-47-30-33-55(8,9)10/h37-44H,11-36H2,1-10H3/t37-,38+,39+,40+,41+,42+,43+/m0/s1
InChIKeyWYGROQSQTKRHTF-IHBZFKHGSA-N
XLogP10.87
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds35
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.44
LogP ≤ 510.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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'}

Analyze (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol with MolForge

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Related Compounds

2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-7-iodohept-6-enoxy]methoxy]ethyl-trimethylsilane
CID 10581746
2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-7-iodohept-6-enoxy]methoxy]ethyl-trimethylsilane
CID 10819708
methyl (4R,15R)-15-[(2R,5R)-5-[(2R,5R)-5-[(1R,12R)-15-methoxy-1,12-bis(methoxymethoxy)-15-oxopentadecyl]oxolan-2-yl]oxolan-2-yl]-4,15-bis(methoxymethoxy)pentadecanoate
CID 10581540
(2R,5R)-2-[(1R)-1-(methoxymethoxy)undecyl]-5-[(2R,5S)-5-methyloxolan-2-yl]oxolane
CID 89207909
1-(methoxymethoxy)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]heptan-4-ol
CID 89207908
(5S)-3-[(8S,13R)-8,13-bis(methoxymethoxy)-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-4-hydroxy-5-methyloxolan-2-one
CID 10652787
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,12R)-15-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-12-(methoxymethoxy)pentadecyl]oxolan-2-yl]oxolan-2-yl]ethane-1,2-diol
CID 10483974
5-docosan-5-yloxypentan-1-ol
CID 139884775
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 101359698
12-butoxyoctadecan-1-ol
CID 139752074

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol?
The IUPAC name of (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol (CID 10605526) is (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol.
What is the SMILES notation for (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol?
The canonical SMILES for (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol is CCCC[C@@H](CCCCC[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCO)OCOCC[Si](C)(C)C)O2)O1)OCOCC[Si](C)(C)C.
What is the InChIKey of (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol?
The InChIKey is WYGROQSQTKRHTF-IHBZFKHGSA-N. The full InChI is InChI=1S/C43H90O9Si3/c1-11-12-19-37(48-34-45-28-31-53(2,3)4)20-15-13-16-21-38(49-35-46-29-32-54(5,6)7)40-23-25-42(51-40)43-26-24-41(52-43)39(22-17-14-18-27-44)50-36-47-30-33-55(8,9)10/h37-44H,11-36H2,1-10H3/t37-,38+,39+,40+,41+,42+,43+/m0/s1.
What are the key properties of (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol?
(6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol has a molecular weight of 835.44 g/mol, XLogP of 10.87, 35 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol is sourced from PubChem (CID 10605526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).