tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane

C20H26O2Si — CID 14197271

IUPACtert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane
SMILESC[C@@H]1O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-16-19(22-16)15-21-23(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/t16-,19+/m0/s1
InChIKeyKRFLPBSUZYKNHQ-QFBILLFUSA-N
MW326.51 g/mol
LogP3.35
Rot. Bonds5

About tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane (PubChem CID 14197271) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane
PubChem CID14197271
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Nametert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane
SMILESC[C@@H]1O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-16-19(22-16)15-21-23(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/t16-,19+/m0/s1
InChIKeyKRFLPBSUZYKNHQ-QFBILLFUSA-N
XLogP3.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.35
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-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane (CID 14197271) is tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane is C[C@@H]1O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane?
The InChIKey is KRFLPBSUZYKNHQ-QFBILLFUSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-16-19(22-16)15-21-23(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/t16-,19+/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane has a molecular weight of 326.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 14197271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).