3-(2-trimethylsilylethynyl)oxetan-3-ol

C8H14O2Si — CID 66687388

IUPAC3-(2-trimethylsilylethynyl)oxetan-3-ol
SMILESC[Si](C)(C)C#CC1(O)COC1
InChIInChI=1S/C8H14O2Si/c1-11(2,3)5-4-8(9)6-10-7-8/h9H,6-7H2,1-3H3
InChIKeyMLXZXWXHOPHSFE-UHFFFAOYSA-N
MW170.28 g/mol
LogP0.63
Rot. Bonds

About 3-(2-trimethylsilylethynyl)oxetan-3-ol

3-(2-trimethylsilylethynyl)oxetan-3-ol (PubChem CID 66687388) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-(2-trimethylsilylethynyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-trimethylsilylethynyl)oxetan-3-ol
PubChem CID66687388
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name3-(2-trimethylsilylethynyl)oxetan-3-ol
SMILESC[Si](C)(C)C#CC1(O)COC1
InChIInChI=1S/C8H14O2Si/c1-11(2,3)5-4-8(9)6-10-7-8/h9H,6-7H2,1-3H3
InChIKeyMLXZXWXHOPHSFE-UHFFFAOYSA-N
XLogP0.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethylsilylethynyl)oxetan-3-ol?
The IUPAC name of 3-(2-trimethylsilylethynyl)oxetan-3-ol (CID 66687388) is 3-(2-trimethylsilylethynyl)oxetan-3-ol.
What is the SMILES notation for 3-(2-trimethylsilylethynyl)oxetan-3-ol?
The canonical SMILES for 3-(2-trimethylsilylethynyl)oxetan-3-ol is C[Si](C)(C)C#CC1(O)COC1.
What is the InChIKey of 3-(2-trimethylsilylethynyl)oxetan-3-ol?
The InChIKey is MLXZXWXHOPHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-11(2,3)5-4-8(9)6-10-7-8/h9H,6-7H2,1-3H3.
What are the key properties of 3-(2-trimethylsilylethynyl)oxetan-3-ol?
3-(2-trimethylsilylethynyl)oxetan-3-ol has a molecular weight of 170.28 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethylsilylethynyl)oxetan-3-ol is sourced from PubChem (CID 66687388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).