[(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane

C12H18O2Si — CID 101342643

IUPAC[(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane
SMILESCOC[C@@H]1O[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H18O2Si/c1-13-9-11-12(14-11)15(2,3)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12-/m0/s1
InChIKeyXDBHQBPZNMEAOL-RYUDHWBXSA-N
MW222.36 g/mol
LogP1.55
Rot. Bonds4

About [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane

[(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane (PubChem CID 101342643) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane
PubChem CID101342643
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name[(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane
SMILESCOC[C@@H]1O[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H18O2Si/c1-13-9-11-12(14-11)15(2,3)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12-/m0/s1
InChIKeyXDBHQBPZNMEAOL-RYUDHWBXSA-N
XLogP1.55
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
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-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane (CID 101342643) is [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane is COC[C@@H]1O[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane?
The InChIKey is XDBHQBPZNMEAOL-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-13-9-11-12(14-11)15(2,3)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane?
[(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane has a molecular weight of 222.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(methoxymethyl)oxiran-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 101342643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).