(2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde

C21H44O4Si2 — CID 11304605

IUPAC(2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde
SMILESCC[Si](CC)(CC)O[C@H](C=O)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C21H44O4Si2/c1-10-27(11-2,12-3)25-20(16-22)19-15-17(4)18(24-19)13-14-23-26(8,9)21(5,6)7/h16-20H,10-15H2,1-9H3/t17-,18+,19-,20-/m1/s1
InChIKeyAEDLFPKVLMXQLN-IYWMVGAKSA-N
MW416.75 g/mol
LogP5.78
Rot. Bonds11

About (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde

(2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde (PubChem CID 11304605) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol. Its IUPAC name is (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde.

Molecular Properties

Compound Name(2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde
PubChem CID11304605
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Name(2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde
SMILESCC[Si](CC)(CC)O[C@H](C=O)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C21H44O4Si2/c1-10-27(11-2,12-3)25-20(16-22)19-15-17(4)18(24-19)13-14-23-26(8,9)21(5,6)7/h16-20H,10-15H2,1-9H3/t17-,18+,19-,20-/m1/s1
InChIKeyAEDLFPKVLMXQLN-IYWMVGAKSA-N
XLogP5.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde
CID 135024173
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde
CID 162419872
2-[(2S,3S,4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-ethyl-4-methoxyoxolan-2-yl]acetaldehyde
CID 173886873
(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyoctadecyl]oxolane-2-carbaldehyde
CID 11700049
(2R,3S,4R,6R)-2,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methylheptanal
CID 11785689
ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate
CID 25107812
(2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde
CID 25107871
ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate
CID 44513305
methyl 2-[(2S,3R,5R)-3-methyl-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-yl]acetate
CID 49845795
2-[(2S,3R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3-methyloxolan-2-yl]ethyl 2,2-dimethylpropanoate
CID 66552830
2-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]oxolan-2-yl]acetaldehyde
CID 101731378
(2S)-2-[(2S,3S,5S,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]butanal
CID 102005096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde?
The IUPAC name of (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde (CID 11304605) is (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde.
What is the SMILES notation for (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde?
The canonical SMILES for (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde is CC[Si](CC)(CC)O[C@H](C=O)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde?
The InChIKey is AEDLFPKVLMXQLN-IYWMVGAKSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-10-27(11-2,12-3)25-20(16-22)19-15-17(4)18(24-19)13-14-23-26(8,9)21(5,6)7/h16-20H,10-15H2,1-9H3/t17-,18+,19-,20-/m1/s1.
What are the key properties of (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde?
(2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde has a molecular weight of 416.75 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde is sourced from PubChem (CID 11304605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).