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

C25H50O5Si3 — CID 75059890

IUPAC2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
SMILESC=CC1(CO)OC(C#C[Si](C)(C)C)C(O[Si](CC)(CC)CC)C(O)C1O[Si](CC)(CC)CC
InChIInChI=1S/C25H50O5Si3/c1-11-25(20-26)24(30-33(15-5,16-6)17-7)22(27)23(29-32(12-2,13-3)14-4)21(28-25)18-19-31(8,9)10/h11,21-24,26-27H,1,12-17,20H2,2-10H3
InChIKeyYAPOFFZBCBGACJ-UHFFFAOYSA-N
MW514.93 g/mol
LogP5.32
Rot. Bonds12

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

2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol (PubChem CID 75059890) has the molecular formula C25H50O5Si3 and a molecular weight of 514.93 g/mol. Its IUPAC name is 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol.

Molecular Properties

Compound Name2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
PubChem CID75059890
Molecular FormulaC25H50O5Si3
Molecular Weight514.93 g/mol
Exact Mass514.30
IUPAC Name2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
SMILESC=CC1(CO)OC(C#C[Si](C)(C)C)C(O[Si](CC)(CC)CC)C(O)C1O[Si](CC)(CC)CC
InChIInChI=1S/C25H50O5Si3/c1-11-25(20-26)24(30-33(15-5,16-6)17-7)22(27)23(29-32(12-2,13-3)14-4)21(28-25)18-19-31(8,9)10/h11,21-24,26-27H,1,12-17,20H2,2-10H3
InChIKeyYAPOFFZBCBGACJ-UHFFFAOYSA-N
XLogP5.32
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.93
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol?
The IUPAC name of 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol (CID 75059890) is 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol.
What is the SMILES notation for 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol?
The canonical SMILES for 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol is C=CC1(CO)OC(C#C[Si](C)(C)C)C(O[Si](CC)(CC)CC)C(O)C1O[Si](CC)(CC)CC.
What is the InChIKey of 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol?
The InChIKey is YAPOFFZBCBGACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O5Si3/c1-11-25(20-26)24(30-33(15-5,16-6)17-7)22(27)23(29-32(12-2,13-3)14-4)21(28-25)18-19-31(8,9)10/h11,21-24,26-27H,1,12-17,20H2,2-10H3.
What are the key properties of 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol?
2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol has a molecular weight of 514.93 g/mol, XLogP of 5.32, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-(hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol is sourced from PubChem (CID 75059890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).