2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol

C17H34O3Si2 — CID 18616669

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol
SMILESCC(C)(C)[Si](C)(C)OCC1CC(O)(C#C[Si](C)(C)C)CCO1
InChIInChI=1S/C17H34O3Si2/c1-16(2,3)22(7,8)20-14-15-13-17(18,9-11-19-15)10-12-21(4,5)6/h15,18H,9,11,13-14H2,1-8H3
InChIKeyXENZNRSEBIVIMA-UHFFFAOYSA-N
MW342.63 g/mol
LogP3.80
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol (PubChem CID 18616669) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol
PubChem CID18616669
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol
SMILESCC(C)(C)[Si](C)(C)OCC1CC(O)(C#C[Si](C)(C)C)CCO1
InChIInChI=1S/C17H34O3Si2/c1-16(2,3)22(7,8)20-14-15-13-17(18,9-11-19-15)10-12-21(4,5)6/h15,18H,9,11,13-14H2,1-8H3
InChIKeyXENZNRSEBIVIMA-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 53.80
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol (CID 18616669) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol is CC(C)(C)[Si](C)(C)OCC1CC(O)(C#C[Si](C)(C)C)CCO1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol?
The InChIKey is XENZNRSEBIVIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-16(2,3)22(7,8)20-14-15-13-17(18,9-11-19-15)10-12-21(4,5)6/h15,18H,9,11,13-14H2,1-8H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol has a molecular weight of 342.63 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-trimethylsilylethynyl)oxan-4-ol is sourced from PubChem (CID 18616669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).