methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate

C21H26O4Si — CID 11303215

IUPACmethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
SMILESCOC(=O)C[C@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26O4Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-17(16-22)15-20(23)24-4/h5-14,16-17H,15H2,1-4H3/t17-/m1/s1
InChIKeyUXSOUYVFSIYGEM-QGZVFWFLSA-N
MW370.52 g/mol
LogP2.69
Rot. Bonds7

About methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate

methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate (PubChem CID 11303215) has the molecular formula C21H26O4Si and a molecular weight of 370.52 g/mol. Its IUPAC name is methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
PubChem CID11303215
Molecular FormulaC21H26O4Si
Molecular Weight370.52 g/mol
Exact Mass370.16
IUPAC Namemethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
SMILESCOC(=O)C[C@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26O4Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-17(16-22)15-20(23)24-4/h5-14,16-17H,15H2,1-4H3/t17-/m1/s1
InChIKeyUXSOUYVFSIYGEM-QGZVFWFLSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.69
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 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-oxohept-6-enoate
CID 171567875
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
methyl 3-[tert-butyl(diphenyl)silyl]oxy-4-[chloro(methyl)phosphoryl]butanoate
CID 14750058
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
methyl (3S,4S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-iodohexanoate
CID 10816311
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
methyl (5S,6E,8Z)-5,11-bis[[tert-butyl(diphenyl)silyl]oxy]undeca-6,8-dienoate
CID 15462043

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate?
The IUPAC name of methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate (CID 11303215) is methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate.
What is the SMILES notation for methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate?
The canonical SMILES for methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate is COC(=O)C[C@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate?
The InChIKey is UXSOUYVFSIYGEM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26O4Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-17(16-22)15-20(23)24-4/h5-14,16-17H,15H2,1-4H3/t17-/m1/s1.
What are the key properties of methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate?
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate has a molecular weight of 370.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate is sourced from PubChem (CID 11303215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).