tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane

C62H112O12Si3 — CID 159605290

IUPACtert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane
SMILESCCOC(C)=O.CC[C@@H](O)COCc1ccccc1.CC[C@H](C=O)O[Si](C)(C)C(C)(C)C.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C.c1ccc(COC[C@H]2CO2)cc1
InChIInChI=1S/C17H30O2Si.C11H16O2.C10H24O2Si.C10H22O2Si.C10H12O2.C4H8O2/c1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15;1-2-11(12)9-13-8-10-6-4-3-5-7-10;2*1-7-9(8-11)12-13(5,6)10(2,3)4;1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-3-6-4(2)5/h8-12,16H,7,13-14H2,1-6H3;3-7,11-12H,2,8-9H2,1H3;9,11H,7-8H2,1-6H3;8-9H,7H2,1-6H3;1-5,10H,6-8H2;3H2,1-2H3/t16-;11-;2*9-;10-;/m11110./s1
InChIKeyMLZQZRRXJKPETR-QJIZZQKWSA-N
MW1133.82 g/mol
LogP14.91
Rot. Bonds25

About tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane

tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane (PubChem CID 159605290) has the molecular formula C62H112O12Si3 and a molecular weight of 1133.82 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane
PubChem CID159605290
Molecular FormulaC62H112O12Si3
Molecular Weight1133.82 g/mol
Exact Mass1132.75
IUPAC Nametert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane
SMILESCCOC(C)=O.CC[C@@H](O)COCc1ccccc1.CC[C@H](C=O)O[Si](C)(C)C(C)(C)C.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C.c1ccc(COC[C@H]2CO2)cc1
InChIInChI=1S/C17H30O2Si.C11H16O2.C10H24O2Si.C10H22O2Si.C10H12O2.C4H8O2/c1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15;1-2-11(12)9-13-8-10-6-4-3-5-7-10;2*1-7-9(8-11)12-13(5,6)10(2,3)4;1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-3-6-4(2)5/h8-12,16H,7,13-14H2,1-6H3;3-7,11-12H,2,8-9H2,1H3;9,11H,7-8H2,1-6H3;8-9H,7H2,1-6H3;1-5,10H,6-8H2;3H2,1-2H3/t16-;11-;2*9-;10-;/m11110./s1
InChIKeyMLZQZRRXJKPETR-QJIZZQKWSA-N
XLogP14.91
TPSA151.74 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.82
LogP ≤ 514.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane with MolForge

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
benzyl N-[2-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate;benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate;benzyl N-(2,3-dihydroxypropyl)carbamate
CID 123229566
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
[(2R,3S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methyloxiran-2-yl]methanol
CID 11825080
tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol
CID 161485596
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
ethyl (E)-3-[2-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropoxy]phenyl]prop-2-enoate
CID 153399419
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
benzyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-[(2S)-oxiran-2-yl]butan-2-yl]carbamate
CID 11338426

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane (CID 159605290) is tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane is CCOC(C)=O.CC[C@@H](O)COCc1ccccc1.CC[C@H](C=O)O[Si](C)(C)C(C)(C)C.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C.c1ccc(COC[C@H]2CO2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane?
The InChIKey is MLZQZRRXJKPETR-QJIZZQKWSA-N. The full InChI is InChI=1S/C17H30O2Si.C11H16O2.C10H24O2Si.C10H22O2Si.C10H12O2.C4H8O2/c1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15;1-2-11(12)9-13-8-10-6-4-3-5-7-10;2*1-7-9(8-11)12-13(5,6)10(2,3)4;1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-3-6-4(2)5/h8-12,16H,7,13-14H2,1-6H3;3-7,11-12H,2,8-9H2,1H3;9,11H,7-8H2,1-6H3;8-9H,7H2,1-6H3;1-5,10H,6-8H2;3H2,1-2H3/t16-;11-;2*9-;10-;/m11110./s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane?
tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane has a molecular weight of 1133.82 g/mol, XLogP of 14.91, 25 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal;(2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;ethyl acetate;(2R)-1-phenylmethoxybutan-2-ol;(2R)-2-(phenylmethoxymethyl)oxirane is sourced from PubChem (CID 159605290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).