(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal

C11H24O3Si — CID 11128184

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal
SMILESCOC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-10(7-8-12)9-13-4/h8,10H,7,9H2,1-6H3/t10-/m1/s1
InChIKeyCJGOYXDHDHJSQA-SNVBAGLBSA-N
MW232.40 g/mol
LogP2.61
Rot. Bonds6

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal (PubChem CID 11128184) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal
PubChem CID11128184
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal
SMILESCOC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-10(7-8-12)9-13-4/h8,10H,7,9H2,1-6H3/t10-/m1/s1
InChIKeyCJGOYXDHDHJSQA-SNVBAGLBSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
2-{3-[(Tert-butyldimethylsilyl)oxy]oxetan-3-yl}acetaldehyde
CID 155977813
Butanal, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (R)-
CID 11117121
(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 11954976
(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal
CID 23631392
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanal
CID 24806491
(3R)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
CID 134878763
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
CID 135014418
3-o-t-Butyldimethylsilyl-2-o-methyl-rac-glyceraldehyde
CID 54307504
3-[2-(tert-Butyldimethylsilanyloxy)ethoxy]propionaldehyde
CID 124220794
4-[Tert-butyl(dimethyl)silyl]oxy-2-oxobutanal
CID 173731603

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal (CID 11128184) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal is COC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal?
The InChIKey is CJGOYXDHDHJSQA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-11(2,3)15(5,6)14-10(7-8-12)9-13-4/h8,10H,7,9H2,1-6H3/t10-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal has a molecular weight of 232.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal is sourced from PubChem (CID 11128184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).