methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate

C19H30O4Si — CID 11046348

IUPACmethyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](c1ccccc1)[C@@H](C)C=O
InChIInChI=1S/C19H30O4Si/c1-14(13-20)16(15-11-9-8-10-12-15)17(18(21)22-5)23-24(6,7)19(2,3)4/h8-14,16-17H,1-7H3/t14-,16+,17-/m0/s1
InChIKeyCJRUBRVEBSPOKG-UAGQMJEPSA-N
MW350.53 g/mol
LogP4.17
Rot. Bonds7

About methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate

methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate (PubChem CID 11046348) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
PubChem CID11046348
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Namemethyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](c1ccccc1)[C@@H](C)C=O
InChIInChI=1S/C19H30O4Si/c1-14(13-20)16(15-11-9-8-10-12-15)17(18(21)22-5)23-24(6,7)19(2,3)4/h8-14,16-17H,1-7H3/t14-,16+,17-/m0/s1
InChIKeyCJRUBRVEBSPOKG-UAGQMJEPSA-N
XLogP4.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanoate
CID 11674267
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 11596486
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
methyl (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11271071
methyl (2E,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-phenylhepta-2,4-dienoate
CID 146161693
methyl 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2-oxobut-3-enoate
CID 45142046
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
phenyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methylpent-4-enoate
CID 24755019
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate?
The IUPAC name of methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate (CID 11046348) is methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate.
What is the SMILES notation for methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate?
The canonical SMILES for methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate is COC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](c1ccccc1)[C@@H](C)C=O.
What is the InChIKey of methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate?
The InChIKey is CJRUBRVEBSPOKG-UAGQMJEPSA-N. The full InChI is InChI=1S/C19H30O4Si/c1-14(13-20)16(15-11-9-8-10-12-15)17(18(21)22-5)23-24(6,7)19(2,3)4/h8-14,16-17H,1-7H3/t14-,16+,17-/m0/s1.
What are the key properties of methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate?
methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate has a molecular weight of 350.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate is sourced from PubChem (CID 11046348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).