2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol

C23H48O5Si3 — CID 135013738

IUPAC2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
SMILESCC[Si](CC)(CC)OC1C(C#C[Si](C)(C)C)OC(CO)C(O[Si](CC)(CC)CC)C1O
InChIInChI=1S/C23H48O5Si3/c1-10-30(11-2,12-3)27-22-19(16-17-29(7,8)9)26-20(18-24)23(21(22)25)28-31(13-4,14-5)15-6/h19-25H,10-15,18H2,1-9H3
InChIKeyUGPFPOQILXSUMV-UHFFFAOYSA-N
MW488.89 g/mol
LogP4.77
Rot. Bonds11

About 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol

2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol (PubChem CID 135013738) has the molecular formula C23H48O5Si3 and a molecular weight of 488.89 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
PubChem CID135013738
Molecular FormulaC23H48O5Si3
Molecular Weight488.89 g/mol
Exact Mass488.28
IUPAC Name2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
SMILESCC[Si](CC)(CC)OC1C(C#C[Si](C)(C)C)OC(CO)C(O[Si](CC)(CC)CC)C1O
InChIInChI=1S/C23H48O5Si3/c1-10-30(11-2,12-3)27-22-19(16-17-29(7,8)9)26-20(18-24)23(21(22)25)28-31(13-4,14-5)15-6/h19-25H,10-15,18H2,1-9H3
InChIKeyUGPFPOQILXSUMV-UHFFFAOYSA-N
XLogP4.77
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.89
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5R,6S)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 11144353
[(2R,3R)-3-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]oxiran-2-yl]methanol
CID 11811227
(2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol
CID 100960244
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol
CID 101196528
[(2S,3R,4S,5R,6R)-3,6-diethynyl-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
CID 102303639
(2R,3R,4R,5S,6R)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 134885279
(2S,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-iodoethynyl)-5-tri(propan-2-yl)silyloxy-3-[2-tri(propan-2-yl)silyloxyethynyl]oxan-4-ol
CID 134885280
(1S)-1-[(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxan-2-yl]ethane-1,2-diol
CID 134940964
(2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 134976733
(2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 134976734
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol
CID 135028759
(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol
CID 135028760

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol (CID 135013738) is 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol is CC[Si](CC)(CC)OC1C(C#C[Si](C)(C)C)OC(CO)C(O[Si](CC)(CC)CC)C1O.
What is the InChIKey of 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol?
The InChIKey is UGPFPOQILXSUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O5Si3/c1-10-30(11-2,12-3)27-22-19(16-17-29(7,8)9)26-20(18-24)23(21(22)25)28-31(13-4,14-5)15-6/h19-25H,10-15,18H2,1-9H3.
What are the key properties of 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol?
2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol has a molecular weight of 488.89 g/mol, XLogP of 4.77, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol is sourced from PubChem (CID 135013738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).