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

C19H24O2Si — CID 11077853

IUPACtert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O2Si/c1-19(2,3)22(21-15-16-14-20-16,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-/m0/s1
InChIKeyOFXJIOVCMVBKRJ-INIZCTEOSA-N
MW312.49 g/mol
LogP2.96
Rot. Bonds5

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

tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane (PubChem CID 11077853) has the molecular formula C19H24O2Si and a molecular weight of 312.49 g/mol. Its IUPAC name is tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane
PubChem CID11077853
Molecular FormulaC19H24O2Si
Molecular Weight312.49 g/mol
Exact Mass312.15
IUPAC Nametert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O2Si/c1-19(2,3)22(21-15-16-14-20-16,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-/m0/s1
InChIKeyOFXJIOVCMVBKRJ-INIZCTEOSA-N
XLogP2.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 52.96
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-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane (CID 11077853) is tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane?
The InChIKey is OFXJIOVCMVBKRJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24O2Si/c1-19(2,3)22(21-15-16-14-20-16,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane has a molecular weight of 312.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-oxiran-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11077853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).