(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal

C16H26O2Si — CID 11334947

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal
SMILESCC(C=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O2Si/c1-13(12-17)15(14-10-8-7-9-11-14)18-19(5,6)16(2,3)4/h7-13,15H,1-6H3/t13?,15-/m0/s1
InChIKeyAKHQNRWSLZLFOP-WUJWULDRSA-N
MW278.47 g/mol
LogP4.58
Rot. Bonds5

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal (PubChem CID 11334947) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal
PubChem CID11334947
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal
SMILESCC(C=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H26O2Si/c1-13(12-17)15(14-10-8-7-9-11-14)18-19(5,6)16(2,3)4/h7-13,15H,1-6H3/t13?,15-/m0/s1
InChIKeyAKHQNRWSLZLFOP-WUJWULDRSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((Tert-butyldimethylsilyl)oxy)-2-phenylacetaldehyde
CID 10890342
Benzeneacetic acid, alpha-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 528583
3-(tert-Butyldimethylsilyloxy)-2-benzylpropanal
CID 10850249
1,3-Diphenyl-3-trimethylsilyloxypropan-1-one
CID 10924517
Tetradecanal, 3-(phenylmethoxy)-, (3R)-
CID 10925205
(R)-alpha-(t-Butyldimethylsilyloxy)-alpha-phenylacetaldehyde
CID 10933947
4-[Tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one
CID 10956840
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal
CID 10980092
(S)-alpha-(t-Butyldimethylsilyloxy)-alpha-phenylacetaldehyde
CID 11075902
Methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxypropanoate
CID 11747964
2-[2-(tert-Butyl-dimethyl-silanyloxy)-2-(2-iodo-phenyl)-ethyl]-5-methyl-cyclohept-4-enone
CID 10005555
2-[(Tert-butyldimethylsilyl)oxy]-2-(4-fluorophenyl)acetaldehyde
CID 178200069

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal (CID 11334947) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal is CC(C=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal?
The InChIKey is AKHQNRWSLZLFOP-WUJWULDRSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-13(12-17)15(14-10-8-7-9-11-14)18-19(5,6)16(2,3)4/h7-13,15H,1-6H3/t13?,15-/m0/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal has a molecular weight of 278.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanal is sourced from PubChem (CID 11334947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).