(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde

C15H30O6Si — CID 101038265

IUPAC(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
SMILESCO[C@@]1(C)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[C@]1(C)OC
InChIInChI=1S/C15H30O6Si/c1-13(2,3)22(8,9)21-12-11(10-16)19-14(4,17-6)15(5,18-7)20-12/h10-12H,1-9H3/t11-,12-,14+,15+/m1/s1
InChIKeyYRGAGNZHBRHMTM-UXOAXIEHSA-N
MW334.49 g/mol
LogP2.67
Rot. Bonds5

About (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde

(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde (PubChem CID 101038265) has the molecular formula C15H30O6Si and a molecular weight of 334.49 g/mol. Its IUPAC name is (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
PubChem CID101038265
Molecular FormulaC15H30O6Si
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
SMILESCO[C@@]1(C)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[C@]1(C)OC
InChIInChI=1S/C15H30O6Si/c1-13(2,3)22(8,9)21-12-11(10-16)19-14(4,17-6)15(5,18-7)20-12/h10-12H,1-9H3/t11-,12-,14+,15+/m1/s1
InChIKeyYRGAGNZHBRHMTM-UXOAXIEHSA-N
XLogP2.67
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(Methoxymethoxy)-3-oxopropyl (2-(trimethylsilyl)ethyl) carbonate
CID 44511293
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one
CID 14134380
(2R,4S) 4 t-butyldimethylsiloxymethyl-2-methyl-1,3-dioxan-5-one
CID 14134382
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal
CID 57243235
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxane-4-carbaldehyde
CID 87972364
2-[Butyl(dimethyl)silyl]oxy-3-(oxan-2-yloxy)propanal
CID 88482469
(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
CID 89393450
(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
CID 89393452
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
CID 123339609
(2R,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 10497945
(2S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 10569762
(2R,3S,5R,6R)-3-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxaldehyde
CID 10593882

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde?
The IUPAC name of (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde (CID 101038265) is (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde.
What is the SMILES notation for (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde?
The canonical SMILES for (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde is CO[C@@]1(C)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[C@]1(C)OC.
What is the InChIKey of (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde?
The InChIKey is YRGAGNZHBRHMTM-UXOAXIEHSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-13(2,3)22(8,9)21-12-11(10-16)19-14(4,17-6)15(5,18-7)20-12/h10-12H,1-9H3/t11-,12-,14+,15+/m1/s1.
What are the key properties of (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde?
(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde has a molecular weight of 334.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde is sourced from PubChem (CID 101038265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).