(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal

C30H38O3Si — CID 14394625

IUPAC(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
SMILESC[C@H](C=O)[C@H](OCc1ccccc1)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H38O3Si/c1-24(21-31)29(32-23-26-15-9-6-10-16-26)25(2)22-33-34(30(3,4)5,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-21,24-25,29H,22-23H2,1-5H3/t24-,25+,29+/m1/s1
InChIKeyOEYRZTABKMCDLO-AHPZMPFVSA-N
MW474.72 g/mol
LogP5.62
Rot. Bonds11

About (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal

(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal (PubChem CID 14394625) has the molecular formula C30H38O3Si and a molecular weight of 474.72 g/mol. Its IUPAC name is (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal.

Molecular Properties

Compound Name(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
PubChem CID14394625
Molecular FormulaC30H38O3Si
Molecular Weight474.72 g/mol
Exact Mass474.26
IUPAC Name(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
SMILESC[C@H](C=O)[C@H](OCc1ccccc1)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H38O3Si/c1-24(21-31)29(32-23-26-15-9-6-10-16-26)25(2)22-33-34(30(3,4)5,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-21,24-25,29H,22-23H2,1-5H3/t24-,25+,29+/m1/s1
InChIKeyOEYRZTABKMCDLO-AHPZMPFVSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.72
LogP ≤ 55.62
H-Bond Donors ≤ 50
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-phenylmethoxypropanal
CID 101456152
(E,2S,3R,4R,8S)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethyl-3-phenylmethoxynon-5-ene-1,7-diol
CID 102175420
(E,2R,3S,4R,8S)-9-[tert-butyl(diphenyl)silyl]oxy-2,4,6,8-tetramethyl-3-phenylmethoxynon-5-ene-1,7-diol
CID 135008817
(2R,3S,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 11738903
(2S,3R,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 12995469
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(2S,3S,4R,5S,6S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptan-2-ol
CID 11542185
tert-butyl-[(2S,3S,4R,5S,6S)-2-methoxy-4,6-dimethyl-3,5,7-tris(phenylmethoxy)heptoxy]-diphenylsilane
CID 11556737
(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial
CID 102478524
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal?
The IUPAC name of (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal (CID 14394625) is (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal.
What is the SMILES notation for (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal?
The canonical SMILES for (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal is C[C@H](C=O)[C@H](OCc1ccccc1)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal?
The InChIKey is OEYRZTABKMCDLO-AHPZMPFVSA-N. The full InChI is InChI=1S/C30H38O3Si/c1-24(21-31)29(32-23-26-15-9-6-10-16-26)25(2)22-33-34(30(3,4)5,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-21,24-25,29H,22-23H2,1-5H3/t24-,25+,29+/m1/s1.
What are the key properties of (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal?
(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal has a molecular weight of 474.72 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal is sourced from PubChem (CID 14394625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).