tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane

C9H20O2Si — CID 10954307

IUPACtert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CO1
InChIInChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-7-8-6-10-8/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyYANSSVVGZPNSKD-QMMMGPOBSA-N
MW188.34 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane (PubChem CID 10954307) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane
PubChem CID10954307
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nametert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CO1
InChIInChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-7-8-6-10-8/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyYANSSVVGZPNSKD-QMMMGPOBSA-N
XLogP2.41
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.41
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 tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane (CID 10954307) is tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane?
The InChIKey is YANSSVVGZPNSKD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-7-8-6-10-8/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane has a molecular weight of 188.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S)-oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 10954307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).