(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal

C32H42O3Si — CID 10601557

IUPAC(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)C=O)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42O3Si/c1-6-36(7-2,8-3)35-31(26(4)24-33)27(5)25-34-32(28-18-12-9-13-19-28,29-20-14-10-15-21-29)30-22-16-11-17-23-30/h9-24,26-27,31H,6-8,25H2,1-5H3/t26-,27-,31-/m0/s1
InChIKeyJUWJMDFXONAHKC-HEWUYBSCSA-N
MW502.77 g/mol
LogP7.86
Rot. Bonds14

About (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal

(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal (PubChem CID 10601557) has the molecular formula C32H42O3Si and a molecular weight of 502.77 g/mol. Its IUPAC name is (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal.

Molecular Properties

Compound Name(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal
PubChem CID10601557
Molecular FormulaC32H42O3Si
Molecular Weight502.77 g/mol
Exact Mass502.29
IUPAC Name(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)C=O)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42O3Si/c1-6-36(7-2,8-3)35-31(26(4)24-33)27(5)25-34-32(28-18-12-9-13-19-28,29-20-14-10-15-21-29)30-22-16-11-17-23-30/h9-24,26-27,31H,6-8,25H2,1-5H3/t26-,27-,31-/m0/s1
InChIKeyJUWJMDFXONAHKC-HEWUYBSCSA-N
XLogP7.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 57.86
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,4S)-1-(9-borabicyclo[3.3.1]nonan-9-yl)-2,4-dimethyl-5-trityloxypentan-3-yl]oxy-triethylsilane
CID 10770019
(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
CID 11176467
(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal
CID 15440865
3-hydroxy-4-methyl-5-trityloxypentan-2-one
CID 13129941
(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal
CID 101467862
(2S)-2-trityloxypropanal
CID 11834057
(E,4R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-8-trityloxyoct-2-en-4-ol
CID 59891823
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
CID 178116138
methyl (E,4S,5R,6S)-4,6-dimethyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733874
3-trityloxypropanal
CID 571223

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal?
The IUPAC name of (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal (CID 10601557) is (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal.
What is the SMILES notation for (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal?
The canonical SMILES for (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal is CC[Si](CC)(CC)O[C@@H]([C@@H](C)C=O)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal?
The InChIKey is JUWJMDFXONAHKC-HEWUYBSCSA-N. The full InChI is InChI=1S/C32H42O3Si/c1-6-36(7-2,8-3)35-31(26(4)24-33)27(5)25-34-32(28-18-12-9-13-19-28,29-20-14-10-15-21-29)30-22-16-11-17-23-30/h9-24,26-27,31H,6-8,25H2,1-5H3/t26-,27-,31-/m0/s1.
What are the key properties of (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal?
(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal has a molecular weight of 502.77 g/mol, XLogP of 7.86, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal is sourced from PubChem (CID 10601557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).