5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde

C12H24O4Si — CID 123339609

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1COC(C=O)CO1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-11-8-14-10(6-13)7-15-11/h6,10-11H,7-9H2,1-5H3
InChIKeyJAPAAQHZNCLICP-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.99
Rot. Bonds4

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde (PubChem CID 123339609) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
PubChem CID123339609
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1COC(C=O)CO1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-11-8-14-10(6-13)7-15-11/h6,10-11H,7-9H2,1-5H3
InChIKeyJAPAAQHZNCLICP-UHFFFAOYSA-N
XLogP1.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.99
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

(2R)-2-methoxy-3-tri(propan-2-yl)silyloxypropanal
CID 135038741
3-o-t-Butyldimethylsilyl-2-o-methyl-rac-glyceraldehyde
CID 54307504
3-[Butyl(dimethyl)silyl]oxy-2-methoxypropanal
CID 87848337
(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
(2S)-2-methoxy-3-tri(propan-2-yl)silyloxypropanal
CID 171478451
2-Methoxy-3-tri(propan-2-yl)silyloxypropanal
CID 175557685
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanal
CID 57409534
(2R,3R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 101038265
(2S,3S,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 101038266
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
CID 102255367
(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
CID 102255368

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde (CID 123339609) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OCC1COC(C=O)CO1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde?
The InChIKey is JAPAAQHZNCLICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-11-8-14-10(6-13)7-15-11/h6,10-11H,7-9H2,1-5H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde has a molecular weight of 260.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde is sourced from PubChem (CID 123339609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).