(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal

C26H30O3Si — CID 101456152

IUPAC(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
SMILESCC(C)(C)[Si](OC[C@@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30O3Si/c1-26(2,3)30(24-15-9-5-10-16-24,25-17-11-6-12-18-25)29-21-23(19-27)28-20-22-13-7-4-8-14-22/h4-19,23H,20-21H2,1-3H3/t23-/m1/s1
InChIKeyKDPBNVFSHHPVFX-HSZRJFAPSA-N
MW418.61 g/mol
LogP4.35
Rot. Bonds9

About (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal (PubChem CID 101456152) has the molecular formula C26H30O3Si and a molecular weight of 418.61 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
PubChem CID101456152
Molecular FormulaC26H30O3Si
Molecular Weight418.61 g/mol
Exact Mass418.20
IUPAC Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
SMILESCC(C)(C)[Si](OC[C@@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30O3Si/c1-26(2,3)30(24-15-9-5-10-16-24,25-17-11-6-12-18-25)29-21-23(19-27)28-20-22-13-7-4-8-14-22/h4-19,23H,20-21H2,1-3H3/t23-/m1/s1
InChIKeyKDPBNVFSHHPVFX-HSZRJFAPSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.35
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)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
(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
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
[(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-formyloxy-2-(phenylmethoxymethyl)butyl] formate
CID 140825986
(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial
CID 102478524
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
CID 101378992
(3R,4R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanal
CID 23636317
(2R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-6-methyl-2-phenylmethoxyheptan-3-one
CID 102309188

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal?
The IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal (CID 101456152) is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal.
What is the SMILES notation for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal?
The canonical SMILES for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal is CC(C)(C)[Si](OC[C@@H](C=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal?
The InChIKey is KDPBNVFSHHPVFX-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30O3Si/c1-26(2,3)30(24-15-9-5-10-16-24,25-17-11-6-12-18-25)29-21-23(19-27)28-20-22-13-7-4-8-14-22/h4-19,23H,20-21H2,1-3H3/t23-/m1/s1.
What are the key properties of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal?
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal has a molecular weight of 418.61 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal is sourced from PubChem (CID 101456152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).