2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde

C20H42O5Si2 — CID 102362334

IUPAC2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde
SMILESCC[Si](CC)(CC)OC[C@H]1O[C@@H](OC)[C@H](O[Si](CC)(CC)CC)[C@@H]1CC=O
InChIInChI=1S/C20H42O5Si2/c1-8-26(9-2,10-3)23-16-18-17(14-15-21)19(20(22-7)24-18)25-27(11-4,12-5)13-6/h15,17-20H,8-14,16H2,1-7H3/t17-,18-,19-,20-/m1/s1
InChIKeySRWPPFWVGTYLQK-UAFMIMERSA-N
MW418.72 g/mol
LogP4.98
Rot. Bonds14

About 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde

2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde (PubChem CID 102362334) has the molecular formula C20H42O5Si2 and a molecular weight of 418.72 g/mol. Its IUPAC name is 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde
PubChem CID102362334
Molecular FormulaC20H42O5Si2
Molecular Weight418.72 g/mol
Exact Mass418.26
IUPAC Name2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde
SMILESCC[Si](CC)(CC)OC[C@H]1O[C@@H](OC)[C@H](O[Si](CC)(CC)CC)[C@@H]1CC=O
InChIInChI=1S/C20H42O5Si2/c1-8-26(9-2,10-3)23-16-18-17(14-15-21)19(20(22-7)24-18)25-27(11-4,12-5)13-6/h15,17-20H,8-14,16H2,1-7H3/t17-,18-,19-,20-/m1/s1
InChIKeySRWPPFWVGTYLQK-UAFMIMERSA-N
XLogP4.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 54.98
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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Related Compounds

(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(triethylsilyloxy)oxan-3-ol
CID 132991541
N-[(2S,3R,4R,5S,6R)-2-methoxy-6-(2-oxoethyl)-4-phenylmethoxy-5-triethylsilyloxyoxan-3-yl]acetamide
CID 11270899
[(1R)-2-[(2R,3R,4R,5R)-2-(2-bromoprop-2-enyl)-5-methoxy-4-triethylsilyloxyoxolan-3-yl]-1-[(1R,3S,6S,8S,9S)-8-methyl-2-methylidene-4-oxo-8-triethylsilyloxy-5-oxatricyclo[4.2.1.03,9]nonan-3-yl]ethyl] acetate
CID 71726266
[(2R,3R,4S,5R,6S)-3,5-diacetyloxy-6-methoxy-4-prop-2-enyloxan-2-yl]methyl acetate
CID 10871649
2-[(2S,3R,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2S,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]acetaldehyde
CID 57044160
(4,5-diacetyloxy-2-ethyl-6-methoxyoxan-3-yl) acetate
CID 54172413
[3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate
CID 609191
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(3R,4S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 70864054
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde (CID 102362334) is 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde is CC[Si](CC)(CC)OC[C@H]1O[C@@H](OC)[C@H](O[Si](CC)(CC)CC)[C@@H]1CC=O.
What is the InChIKey of 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde?
The InChIKey is SRWPPFWVGTYLQK-UAFMIMERSA-N. The full InChI is InChI=1S/C20H42O5Si2/c1-8-26(9-2,10-3)23-16-18-17(14-15-21)19(20(22-7)24-18)25-27(11-4,12-5)13-6/h15,17-20H,8-14,16H2,1-7H3/t17-,18-,19-,20-/m1/s1.
What are the key properties of 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde?
2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde has a molecular weight of 418.72 g/mol, XLogP of 4.98, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4R,5R)-5-methoxy-4-triethylsilyloxy-2-(triethylsilyloxymethyl)oxolan-3-yl]acetaldehyde is sourced from PubChem (CID 102362334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).