methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate

C23H32O4Si — CID 11596486

IUPACmethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
SMILESCOC(=O)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(6,7)27-21(18-13-15-19(25-4)16-14-18)20(22(24)26-5)17-11-9-8-10-12-17/h8-16,20-21H,1-7H3/t20-,21+/m1/s1
InChIKeyFTFWFYWKPVXZEK-RTWAWAEBSA-N
MW400.59 g/mol
LogP5.71
Rot. Bonds7

About methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate

methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate (PubChem CID 11596486) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
PubChem CID11596486
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
SMILESCOC(=O)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(6,7)27-21(18-13-15-19(25-4)16-14-18)20(22(24)26-5)17-11-9-8-10-12-17/h8-16,20-21H,1-7H3/t20-,21+/m1/s1
InChIKeyFTFWFYWKPVXZEK-RTWAWAEBSA-N
XLogP5.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 134922175
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 101444869
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
CID 11046348
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 101391393
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-yn-2-yl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 87211450
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
CID 11467474
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate?
The IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate (CID 11596486) is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate.
What is the SMILES notation for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate?
The canonical SMILES for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate is COC(=O)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate?
The InChIKey is FTFWFYWKPVXZEK-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-23(2,3)28(6,7)27-21(18-13-15-19(25-4)16-14-18)20(22(24)26-5)17-11-9-8-10-12-17/h8-16,20-21H,1-7H3/t20-,21+/m1/s1.
What are the key properties of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate?
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate has a molecular weight of 400.59 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate is sourced from PubChem (CID 11596486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).