(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal

C19H38O5Si2 — CID 10905511

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1
InChIInChI=1S/C19H38O5Si2/c1-9-26(10-2,11-3)23-16(14-20)18(15-12-13-17(21)22-15)24-25(7,8)19(4,5)6/h14-16,18H,9-13H2,1-8H3/t15-,16+,18-/m0/s1
InChIKeyWZRSTSBKKCWSOM-JZXOWHBKSA-N
MW402.68 g/mol
LogP4.67
Rot. Bonds10

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal (PubChem CID 10905511) has the molecular formula C19H38O5Si2 and a molecular weight of 402.68 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
PubChem CID10905511
Molecular FormulaC19H38O5Si2
Molecular Weight402.68 g/mol
Exact Mass402.23
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1
InChIInChI=1S/C19H38O5Si2/c1-9-26(10-2,11-3)23-16(14-20)18(15-12-13-17(21)22-15)24-25(7,8)19(4,5)6/h14-16,18H,9-13H2,1-8H3/t15-,16+,18-/m0/s1
InChIKeyWZRSTSBKKCWSOM-JZXOWHBKSA-N
XLogP4.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.68
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal (CID 10905511) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal is CC[Si](CC)(CC)O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal?
The InChIKey is WZRSTSBKKCWSOM-JZXOWHBKSA-N. The full InChI is InChI=1S/C19H38O5Si2/c1-9-26(10-2,11-3)23-16(14-20)18(15-12-13-17(21)22-15)24-25(7,8)19(4,5)6/h14-16,18H,9-13H2,1-8H3/t15-,16+,18-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal has a molecular weight of 402.68 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal is sourced from PubChem (CID 10905511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).