(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal

C9H20O2Si — CID 10954305

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal
SMILESC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7-8H,1-6H3/t8-/m0/s1
InChIKeyYMIIHJBTQLZXBV-QMMMGPOBSA-N
MW188.34 g/mol
LogP2.60
Rot. Bonds3

About (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal

(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal (PubChem CID 10954305) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal
PubChem CID10954305
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal
SMILESC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7-8H,1-6H3/t8-/m0/s1
InChIKeyYMIIHJBTQLZXBV-QMMMGPOBSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-((Tert-butyldimethylsilyl)oxy)acetaldehyde
CID 4187788
(2R)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10987035
2-((Tert-butyldimethylsilyl)oxy)propanal
CID 10932206
1-[(Tert-butyldimethylsilyl)oxy]cyclopropane-1-carbaldehyde
CID 14778630
2-((Tert-butyldimethylsilyl)oxy)-2-methylpropanal
CID 25191670
3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
2-((Tert-butyldimethylsilyl)oxy)-2-methylbutanal
CID 155858286
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 10910964
1-(tert-Butyldimethylsilyloxy)-2-propanone
CID 4124969

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal (CID 10954305) is (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal is C[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal?
The InChIKey is YMIIHJBTQLZXBV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7-8H,1-6H3/t8-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal has a molecular weight of 188.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanal is sourced from PubChem (CID 10954305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).