2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol

C16H28O3Si — CID 59001710

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
SMILESCC(C)(C)[Si](C)(C)OCC(OCCO)c1ccccc1
InChIInChI=1S/C16H28O3Si/c1-16(2,3)20(4,5)19-13-15(18-12-11-17)14-9-7-6-8-10-14/h6-10,15,17H,11-13H2,1-5H3
InChIKeyYEBMTXFDKYVALJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.76
Rot. Bonds7

About 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol

2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol (PubChem CID 59001710) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
PubChem CID59001710
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
SMILESCC(C)(C)[Si](C)(C)OCC(OCCO)c1ccccc1
InChIInChI=1S/C16H28O3Si/c1-16(2,3)20(4,5)19-13-15(18-12-11-17)14-9-7-6-8-10-14/h6-10,15,17H,11-13H2,1-5H3
InChIKeyYEBMTXFDKYVALJ-UHFFFAOYSA-N
XLogP3.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
2-[(1S)-2-iodo-1-phenylethoxy]ethanol
CID 125483394
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
N-benzhydryl-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]hydroxylamine
CID 134925763
tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane
CID 21224724
benzhydryl (2S)-2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 153349520
tert-butyl-(2-isothiocyanato-2-phenylethoxy)-dimethylsilane
CID 85240498

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol (CID 59001710) is 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol is CC(C)(C)[Si](C)(C)OCC(OCCO)c1ccccc1.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol?
The InChIKey is YEBMTXFDKYVALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-16(2,3)20(4,5)19-13-15(18-12-11-17)14-9-7-6-8-10-14/h6-10,15,17H,11-13H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol?
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol has a molecular weight of 296.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol is sourced from PubChem (CID 59001710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).