[(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol

C9H20O2Si — CID 135050262

IUPAC[(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol
SMILESCC(C)[C@@H]1O[C@@]1(CO)[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-7(2)8-9(6-10,11-8)12(3,4)5/h7-8,10H,6H2,1-5H3/t8-,9-/m0/s1
InChIKeyVTSRWQLIUQUQNG-IUCAKERBSA-N
MW188.34 g/mol
LogP1.65
Rot. Bonds3

About [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol

[(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol (PubChem CID 135050262) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol
PubChem CID135050262
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name[(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol
SMILESCC(C)[C@@H]1O[C@@]1(CO)[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-7(2)8-9(6-10,11-8)12(3,4)5/h7-8,10H,6H2,1-5H3/t8-,9-/m0/s1
InChIKeyVTSRWQLIUQUQNG-IUCAKERBSA-N
XLogP1.65
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.65
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'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol (CID 135050262) is [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol is CC(C)[C@@H]1O[C@@]1(CO)[Si](C)(C)C.
What is the InChIKey of [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol?
The InChIKey is VTSRWQLIUQUQNG-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-7(2)8-9(6-10,11-8)12(3,4)5/h7-8,10H,6H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol?
[(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol has a molecular weight of 188.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-propan-2-yl-2-trimethylsilyloxiran-2-yl]methanol is sourced from PubChem (CID 135050262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).