(2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol

C26H50O7Si — CID 102382466

IUPAC(2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol
SMILESCC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O3)O2)O1
InChIInChI=1S/C26H50O7Si/c1-23(2,27)19-11-13-26(5,32-19)22-12-14-25(4,33-22)21-10-9-20(31-21)24(3,28)17-30-18-29-15-16-34(6,7)8/h19-22,27-28H,9-18H2,1-8H3/t19-,20-,21-,22-,24+,25+,26+/m0/s1
InChIKeyNQEGMZKWMOWGBS-BHQFRYSYSA-N
MW502.77 g/mol
LogP4.26
Rot. Bonds11

About (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol

(2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol (PubChem CID 102382466) has the molecular formula C26H50O7Si and a molecular weight of 502.77 g/mol. Its IUPAC name is (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol
PubChem CID102382466
Molecular FormulaC26H50O7Si
Molecular Weight502.77 g/mol
Exact Mass502.33
IUPAC Name(2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol
SMILESCC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O3)O2)O1
InChIInChI=1S/C26H50O7Si/c1-23(2,27)19-11-13-26(5,32-19)22-12-14-25(4,33-22)21-10-9-20(31-21)24(3,28)17-30-18-29-15-16-34(6,7)8/h19-22,27-28H,9-18H2,1-8H3/t19-,20-,21-,22-,24+,25+,26+/m0/s1
InChIKeyNQEGMZKWMOWGBS-BHQFRYSYSA-N
XLogP4.26
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.77
LogP ≤ 54.26
H-Bond Donors ≤ 52
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 (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol?
The IUPAC name of (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol (CID 102382466) is (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol.
What is the SMILES notation for (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol?
The canonical SMILES for (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol is CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O3)O2)O1.
What is the InChIKey of (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol?
The InChIKey is NQEGMZKWMOWGBS-BHQFRYSYSA-N. The full InChI is InChI=1S/C26H50O7Si/c1-23(2,27)19-11-13-26(5,32-19)22-12-14-25(4,33-22)21-10-9-20(31-21)24(3,28)17-30-18-29-15-16-34(6,7)8/h19-22,27-28H,9-18H2,1-8H3/t19-,20-,21-,22-,24+,25+,26+/m0/s1.
What are the key properties of (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol?
(2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol has a molecular weight of 502.77 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol is sourced from PubChem (CID 102382466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).