2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane

C25H42O3Si4 — CID 11005633

IUPAC2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
SMILESCCOC1OC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)O1
InChIInChI=1S/C25H42O3Si4/c1-14-26-23-27-24(15-19-29(2,3)4,16-20-30(5,6)7)25(28-23,17-21-31(8,9)10)18-22-32(11,12)13/h23H,14H2,1-13H3
InChIKeyMYXRENMMKIPNKF-UHFFFAOYSA-N
MW502.95 g/mol
LogP5.35
Rot. Bonds2

About 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane

2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane (PubChem CID 11005633) has the molecular formula C25H42O3Si4 and a molecular weight of 502.95 g/mol. Its IUPAC name is 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
PubChem CID11005633
Molecular FormulaC25H42O3Si4
Molecular Weight502.95 g/mol
Exact Mass502.22
IUPAC Name2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
SMILESCCOC1OC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)O1
InChIInChI=1S/C25H42O3Si4/c1-14-26-23-27-24(15-19-29(2,3)4,16-20-30(5,6)7)25(28-23,17-21-31(8,9)10)18-22-32(11,12)13/h23H,14H2,1-13H3
InChIKeyMYXRENMMKIPNKF-UHFFFAOYSA-N
XLogP5.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.95
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane
CID 15256012
2-[(1R,2S)-2-ethoxy-1-methoxycyclopropyl]ethynyl-trimethylsilane
CID 45094288
2-ethoxy-5,5-dimethyl-1,3-dioxane
CID 11137431
2-cuban-1-ylethynyl(trimethyl)silane
CID 14933534
ethyl (1R,5R)-5-(hydroxymethyl)-7,7-bis(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]octane-1-carboxylate
CID 11575039
3-(2-trimethylsilylethynyl)oxetan-3-ol
CID 66687388
1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol
CID 45094294
2-ethoxy-5,5-diethyl-1,3-dioxane-4,6-dione
CID 54553767
3,4-diethoxydioxetane
CID 59986645
(2R,3S)-2,3-diethoxyoxirane
CID 10701862
triethoxy(3-trimethylsilylprop-2-ynyl)silane
CID 146005080
[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane
CID 10726996

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane (CID 11005633) is 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane is CCOC1OC(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)(C#C[Si](C)(C)C)O1.
What is the InChIKey of 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The InChIKey is MYXRENMMKIPNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O3Si4/c1-14-26-23-27-24(15-19-29(2,3)4,16-20-30(5,6)7)25(28-23,17-21-31(8,9)10)18-22-32(11,12)13/h23H,14H2,1-13H3.
What are the key properties of 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane has a molecular weight of 502.95 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4,5,5-tris(2-trimethylsilylethynyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 11005633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).