(4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde

C15H30O4Si — CID 11208879

IUPAC(4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde
SMILESC[C@H]1C[C@@](C=O)(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C15H30O4Si/c1-12-9-15(10-16,19-14(5,6)18-12)11-17-20(7,8)13(2,3)4/h10,12H,9,11H2,1-8H3/t12-,15+/m0/s1
InChIKeyMXUOTRWCVHWFIS-SWLSCSKDSA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds4

About (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde

(4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde (PubChem CID 11208879) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde
PubChem CID11208879
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde
SMILESC[C@H]1C[C@@](C=O)(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C15H30O4Si/c1-12-9-15(10-16,19-14(5,6)18-12)11-17-20(7,8)13(2,3)4/h10,12H,9,11H2,1-8H3/t12-,15+/m0/s1
InChIKeyMXUOTRWCVHWFIS-SWLSCSKDSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.51
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

(4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 134854742
(2R,3R,4S,5S)-3-(tert-butyldimethylsilyloxy)-4-methoxy-5-methyltetrahydro-2H-pyran-2-carbaldehyde
CID 11833079
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-4-methoxy-5-methyl-2H-pyran-2-carboxaldehyde
CID 19699692
(2S,3R,4S,5S)-4-methoxy-5-methyl-3-(tert-butyldimethylsilyloxy)tetrahydro-2H-pyran-2-carbaldehyde
CID 57231418
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750323
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 59466677
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxane-4-carbaldehyde
CID 87972364
(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
(4R,5R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
CID 10902737
(4R,5S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxane-4-carbaldehyde
CID 10980441

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde (CID 11208879) is (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde is C[C@H]1C[C@@](C=O)(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is MXUOTRWCVHWFIS-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-12-9-15(10-16,19-14(5,6)18-12)11-17-20(7,8)13(2,3)4/h10,12H,9,11H2,1-8H3/t12-,15+/m0/s1.
What are the key properties of (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde?
(4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 302.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 11208879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).