tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane

C16H26O2Si — CID 87356118

IUPACtert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](Cc1ccccc1)[C@H]1CO1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-14(15-12-17-15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyAOKRZHULWIGSFU-LSDHHAIUSA-N
MW278.47 g/mol
LogP4.02
Rot. Bonds5

About tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane

tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane (PubChem CID 87356118) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
PubChem CID87356118
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](Cc1ccccc1)[C@H]1CO1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-14(15-12-17-15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyAOKRZHULWIGSFU-LSDHHAIUSA-N
XLogP4.02
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.02
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

tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266
tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 11393604
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
1-[(2S)-oxiran-2-yl]-2-phenylethanol
CID 54466399
[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate
CID 169086617
(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
CID 23382360
tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane
CID 101441536
(1S)-N-methyl-1-[(2S)-oxiran-2-yl]-2-phenylethanamine
CID 11008481

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane (CID 87356118) is tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane is CC(C)(C)[Si](C)(C)O[C@@H](Cc1ccccc1)[C@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane?
The InChIKey is AOKRZHULWIGSFU-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-14(15-12-17-15)11-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane has a molecular weight of 278.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane is sourced from PubChem (CID 87356118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).