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

C27H32O3Si — CID 11201317

IUPAC(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
SMILESCC(C)(C)[Si](OC[C@@H](C=O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3Si/c1-27(2,3)31(25-15-9-5-10-16-25,26-17-11-6-12-18-26)30-22-24(19-28)21-29-20-23-13-7-4-8-14-23/h4-19,24H,20-22H2,1-3H3/t24-/m0/s1
InChIKeyLDOWOTVWCFXEMJ-DEOSSOPVSA-N
MW432.64 g/mol
LogP4.59
Rot. Bonds10

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

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal (PubChem CID 11201317) has the molecular formula C27H32O3Si and a molecular weight of 432.64 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
PubChem CID11201317
Molecular FormulaC27H32O3Si
Molecular Weight432.64 g/mol
Exact Mass432.21
IUPAC Name(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
SMILESCC(C)(C)[Si](OC[C@@H](C=O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3Si/c1-27(2,3)31(25-15-9-5-10-16-25,26-17-11-6-12-18-26)30-22-24(19-28)21-29-20-23-13-7-4-8-14-23/h4-19,24H,20-22H2,1-3H3/t24-/m0/s1
InChIKeyLDOWOTVWCFXEMJ-DEOSSOPVSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 54.59
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,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-formyloxy-2-(phenylmethoxymethyl)butyl] formate
CID 140825986
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal
CID 156904158
(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
CID 14394625
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
(Z,2R,7R)-8-[tert-butyl(diphenyl)silyl]oxy-7-hydroxy-2-(phenylmethoxymethoxy)oct-4-enoic acid
CID 11038911

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal?
The IUPAC name of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal (CID 11201317) is (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal.
What is the SMILES notation for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal?
The canonical SMILES for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal is CC(C)(C)[Si](OC[C@@H](C=O)COCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal?
The InChIKey is LDOWOTVWCFXEMJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H32O3Si/c1-27(2,3)31(25-15-9-5-10-16-25,26-17-11-6-12-18-26)30-22-24(19-28)21-29-20-23-13-7-4-8-14-23/h4-19,24H,20-22H2,1-3H3/t24-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal?
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal has a molecular weight of 432.64 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal is sourced from PubChem (CID 11201317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).