methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate

C20H32O6Si — CID 99772362

IUPACmethyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate
SMILESCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc1ccc(OC)cc1)[C@H]1CO1
InChIInChI=1S/C20H32O6Si/c1-20(2,3)27(6,7)26-18(19(21)23-5)17(16-13-24-16)25-12-14-8-10-15(22-4)11-9-14/h8-11,16-18H,12-13H2,1-7H3/t16-,17+,18-/m1/s1
InChIKeyYSHOJIYQOZIJJE-FGTMMUONSA-N
MW396.56 g/mol
LogP3.54
Rot. Bonds9

About methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate

methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate (PubChem CID 99772362) has the molecular formula C20H32O6Si and a molecular weight of 396.56 g/mol. Its IUPAC name is methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate
PubChem CID99772362
Molecular FormulaC20H32O6Si
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Namemethyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate
SMILESCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc1ccc(OC)cc1)[C@H]1CO1
InChIInChI=1S/C20H32O6Si/c1-20(2,3)27(6,7)26-18(19(21)23-5)17(16-13-24-16)25-12-14-8-10-15(22-4)11-9-14/h8-11,16-18H,12-13H2,1-7H3/t16-,17+,18-/m1/s1
InChIKeyYSHOJIYQOZIJJE-FGTMMUONSA-N
XLogP3.54
TPSA66.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 11393604
methyl (2R,3R,4S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-6,6-bis(ethylsulfanyl)-3-hydroxy-4,5-bis(phenylmethoxy)hexanoate
CID 101383914
(E,2R,3R,6S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyloct-4-enal
CID 11750897
(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane
CID 11097940
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
(3S,4R)-3-amino-2-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]pentanenitrile
CID 102094659
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis[(4-methoxyphenyl)methoxy]hexan-2-one
CID 25191553
methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
(3S,4S,5R,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4-methoxyphenyl)methoxy]-5-methyloctan-2-ol
CID 71469752
tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-2-yl]oxy-dimethylsilane
CID 15814219
methyl (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11271071
(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]-7-methyloct-3-ene-2,5-dione
CID 101151252

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate?
The IUPAC name of methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate (CID 99772362) is methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate.
What is the SMILES notation for methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate?
The canonical SMILES for methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate is COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc1ccc(OC)cc1)[C@H]1CO1.
What is the InChIKey of methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate?
The InChIKey is YSHOJIYQOZIJJE-FGTMMUONSA-N. The full InChI is InChI=1S/C20H32O6Si/c1-20(2,3)27(6,7)26-18(19(21)23-5)17(16-13-24-16)25-12-14-8-10-15(22-4)11-9-14/h8-11,16-18H,12-13H2,1-7H3/t16-,17+,18-/m1/s1.
What are the key properties of methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate?
methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate has a molecular weight of 396.56 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate is sourced from PubChem (CID 99772362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).