tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane

C21H28O2Si — CID 11078347

IUPACtert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(4,5)23-19(17-14-10-7-11-15-17)20-18(22-20)16-12-8-6-9-13-16/h6-15,18-20H,1-5H3/t18-,19-,20+/m0/s1
InChIKeyFHYBHKLQQXGGET-SLFFLAALSA-N
MW340.54 g/mol
LogP5.89
Rot. Bonds5

About tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane (PubChem CID 11078347) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane
PubChem CID11078347
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Nametert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(4,5)23-19(17-14-10-7-11-15-17)20-18(22-20)16-12-8-6-9-13-16/h6-15,18-20H,1-5H3/t18-,19-,20+/m0/s1
InChIKeyFHYBHKLQQXGGET-SLFFLAALSA-N
XLogP5.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.54
LogP ≤ 55.89
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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Related Compounds

[(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 23245446
(5S)-5-[(4R,5S)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-ol
CID 24767034
(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one
CID 10992980
[(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl trifluoromethanesulfonate
CID 10983727
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
ethyl (4S)-4-[(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybut-2-ynoate
CID 11224692
ethyl (4S)-4-[(4S,5S)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybut-2-ynoate
CID 134931238
tert-butyl-[[(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-3,4-dihydro-1H-isochromen-4-yl]oxy]-dimethylsilane
CID 11454213
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane (CID 11078347) is tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane?
The InChIKey is FHYBHKLQQXGGET-SLFFLAALSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-21(2,3)24(4,5)23-19(17-14-10-7-11-15-17)20-18(22-20)16-12-8-6-9-13-16/h6-15,18-20H,1-5H3/t18-,19-,20+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane has a molecular weight of 340.54 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane is sourced from PubChem (CID 11078347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).