(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal

C21H28O3Si — CID 134973268

IUPAC(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)C=O
InChIInChI=1S/C21H28O3Si/c1-17(20(23)15-22)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,17,20,23H,16H2,1-4H3/t17-,20-/m1/s1
InChIKeyMYECSJIECGEODS-YLJYHZDGSA-N
MW356.54 g/mol
LogP2.76
Rot. Bonds7

About (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal (PubChem CID 134973268) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal.

Molecular Properties

Compound Name(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
PubChem CID134973268
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Name(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)C=O
InChIInChI=1S/C21H28O3Si/c1-17(20(23)15-22)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,17,20,23H,16H2,1-4H3/t17-,20-/m1/s1
InChIKeyMYECSJIECGEODS-YLJYHZDGSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
CID 14394625
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
(E,1R,4R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-1-phenylhept-2-ene-1,5-diol
CID 71490044
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal?
The IUPAC name of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal (CID 134973268) is (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal.
What is the SMILES notation for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal?
The canonical SMILES for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)C=O.
What is the InChIKey of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal?
The InChIKey is MYECSJIECGEODS-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-17(20(23)15-22)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,17,20,23H,16H2,1-4H3/t17-,20-/m1/s1.
What are the key properties of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal?
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal has a molecular weight of 356.54 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal is sourced from PubChem (CID 134973268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).