3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde

C14H28O4Si — CID 19699692

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
SMILESCOC1C(C)COC(C=O)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-10-9-17-11(8-15)13(12(10)16-5)18-19(6,7)14(2,3)4/h8,10-13H,9H2,1-7H3
InChIKeyDCKNHIMGDSBHLC-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.63
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde

3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde (PubChem CID 19699692) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
PubChem CID19699692
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
SMILESCOC1C(C)COC(C=O)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-10-9-17-11(8-15)13(12(10)16-5)18-19(6,7)14(2,3)4/h8,10-13H,9H2,1-7H3
InChIKeyDCKNHIMGDSBHLC-UHFFFAOYSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.63
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,3r,4s,5s)-2-Acetyl-3-(t-butyldimethylsilyloxy)-4-methoxy-5-methyl-tetrahydropyran
CID 11141191
(4S,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,6-trimethyl-1,3-dioxane-4-carbaldehyde
CID 11208879
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde
CID 10955808
[(2S,3R,4S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxohexan-2-yl] acetate
CID 101214067
(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxane-2-carbaldehyde
CID 11380639
(2R,3R,4S,5S)-3-(tert-butyldimethylsilyloxy)-4-methoxy-5-methyltetrahydro-2H-pyran-2-carbaldehyde
CID 11833079
3,4-Dimethoxy-5,6-dimethyloxane-2-carbaldehyde
CID 20662025
(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde
CID 22848911
1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone
CID 54574796
1-[(2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone
CID 54574797
[tert-butyl(dimethyl)silyl] (2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylate
CID 57133642
(2S,3R,4S,5S)-4-methoxy-5-methyl-3-(tert-butyldimethylsilyloxy)tetrahydro-2H-pyran-2-carbaldehyde
CID 57231418

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde (CID 19699692) is 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde is COC1C(C)COC(C=O)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde?
The InChIKey is DCKNHIMGDSBHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10-9-17-11(8-15)13(12(10)16-5)18-19(6,7)14(2,3)4/h8,10-13H,9H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde?
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde has a molecular weight of 288.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde is sourced from PubChem (CID 19699692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).