[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol

C8H14O2Si — CID 10725845

IUPAC[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol
SMILESC[Si](C)(C)C#C[C@]1(CO)CO1
InChIInChI=1S/C8H14O2Si/c1-11(2,3)5-4-8(6-9)7-10-8/h9H,6-7H2,1-3H3/t8-/m0/s1
InChIKeySLUGPDBHZMPUKT-QMMMGPOBSA-N
MW170.28 g/mol
LogP0.63
Rot. Bonds1

About [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol

[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol (PubChem CID 10725845) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol
PubChem CID10725845
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol
SMILESC[Si](C)(C)C#C[C@]1(CO)CO1
InChIInChI=1S/C8H14O2Si/c1-11(2,3)5-4-8(6-9)7-10-8/h9H,6-7H2,1-3H3/t8-/m0/s1
InChIKeySLUGPDBHZMPUKT-QMMMGPOBSA-N
XLogP0.63
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-trimethylsilylethynyl)oxetan-3-ol
CID 66687388
2-[5,5-dimethyl-2-(2-trimethylsilylethynyl)-1,3-dioxan-2-yl]ethynyl-tri(propan-2-yl)silane
CID 10596713
1,1-dideuterio-3-trimethylsilylprop-2-yn-1-ol
CID 170699958
1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol
CID 11805656
2,2,6,6-tetramethyl-4-(2-trimethylsilylethynyl)oxan-4-ol
CID 123619096
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
3-trimethylsilylprop-2-ynoic acid
CID 2760863
(3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol
CID 10247993
1-deuterio-3-trimethylsilylprop-2-yn-1-ol
CID 170672401
ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
CID 123597559
CID 24764040
CID 24764040
trimethyl-[2-[7-(2-methylprop-1-enyl)-1-tricyclo[4.1.0.02,7]heptanyl]ethynyl]silane
CID 15758539

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol?
The IUPAC name of [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol (CID 10725845) is [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol is C[Si](C)(C)C#C[C@]1(CO)CO1.
What is the InChIKey of [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol?
The InChIKey is SLUGPDBHZMPUKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-11(2,3)5-4-8(6-9)7-10-8/h9H,6-7H2,1-3H3/t8-/m0/s1.
What are the key properties of [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol?
[(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol has a molecular weight of 170.28 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-trimethylsilylethynyl)oxiran-2-yl]methanol is sourced from PubChem (CID 10725845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).