3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol

C28H44O2Si3 — CID 102086371

IUPAC3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol
SMILESC#CC(O)(C#CC(C#C[Si](C)(C)C)(C#C[Si](CC)(CC)CC)OC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C28H44O2Si3/c1-12-27(29,21-25-32(13-2,14-3)15-4)19-20-28(30-8,22-24-31(9,10)11)23-26-33(16-5,17-6)18-7/h1,29H,13-18H2,2-11H3
InChIKeyARXDYQXFTCTQGN-UHFFFAOYSA-N
MW496.92 g/mol
LogP5.72
Rot. Bonds7

About 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol

3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol (PubChem CID 102086371) has the molecular formula C28H44O2Si3 and a molecular weight of 496.92 g/mol. Its IUPAC name is 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol.

Molecular Properties

Compound Name3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol
PubChem CID102086371
Molecular FormulaC28H44O2Si3
Molecular Weight496.92 g/mol
Exact Mass496.26
IUPAC Name3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol
SMILESC#CC(O)(C#CC(C#C[Si](C)(C)C)(C#C[Si](CC)(CC)CC)OC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C28H44O2Si3/c1-12-27(29,21-25-32(13-2,14-3)15-4)19-20-28(30-8,22-24-31(9,10)11)23-26-33(16-5,17-6)18-7/h1,29H,13-18H2,2-11H3
InChIKeyARXDYQXFTCTQGN-UHFFFAOYSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.92
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7-Bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
CID 15258550
(3R)-3-ethynyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 135086314
Tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane
CID 12036890
(3,6-Diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
CID 102086370
[(3R)-3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
CID 134885025
4,7,13,16-Tetramethoxy-1,4,7,10,13,16-hexakis(2-triethylsilylethynyl)cyclooctadeca-2,5,8,11,14,17-hexayne-1,10-diol
CID 138971021
Trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
CID 54445108
Trimethyl-[1-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
CID 57075904
Ethynyl(trimethyl)silane;1,1,1-trideuterio-2-methyl-4-trimethylsilylbut-3-yn-2-ol;1,1,1-trideuteriopropan-2-one
CID 161895534
Ethynyl(trimethyl)silane;2-methyl-4-trimethylsilylbut-3-yn-2-ol;propan-2-one
CID 161895535
3-Ethynyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 11371003
triethyl-[(3R)-3-ethynyl-3-methoxy-5-trimethylsilylpenta-1,4-diynyl]silane
CID 11601922

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol?
The IUPAC name of 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol (CID 102086371) is 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol.
What is the SMILES notation for 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol?
The canonical SMILES for 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol is C#CC(O)(C#CC(C#C[Si](C)(C)C)(C#C[Si](CC)(CC)CC)OC)C#C[Si](CC)(CC)CC.
What is the InChIKey of 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol?
The InChIKey is ARXDYQXFTCTQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si3/c1-12-27(29,21-25-32(13-2,14-3)15-4)19-20-28(30-8,22-24-31(9,10)11)23-26-33(16-5,17-6)18-7/h1,29H,13-18H2,2-11H3.
What are the key properties of 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol?
3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol has a molecular weight of 496.92 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-6-methoxy-1-triethylsilyl-6-(2-triethylsilylethynyl)-8-trimethylsilylocta-1,4,7-triyn-3-ol is sourced from PubChem (CID 102086371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).