3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal

C9H20O2Si — CID 166071460

IUPAC3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal
SMILESCC(C)(C)[Si](C)(C)CC(O)C=O
InChIInChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)7-8(11)6-10/h6,8,11H,7H2,1-5H3
InChIKeySXKCOLAQSSBPGJ-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.05
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal

3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal (PubChem CID 166071460) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal
PubChem CID166071460
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal
SMILESCC(C)(C)[Si](C)(C)CC(O)C=O
InChIInChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)7-8(11)6-10/h6,8,11H,7H2,1-5H3
InChIKeySXKCOLAQSSBPGJ-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
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

(2R)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10987035
2-((Tert-butyldimethylsilyl)oxy)propanal
CID 10932206
(2S)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10954305
(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 11075239
(2S)-2-triethylsilyloxypropanal
CID 11171468
(t-Butyldimethylsilyloxy)butanal
CID 13988776
(2S)-2-[tert-butyl(dimethyl)silyl]oxybutanal
CID 45113362
(2R)-2-tri(propan-2-yl)silyloxypropanal
CID 10911391
(R)-t-butyldimethylsiloxybutyraldehyde
CID 11052702
2-Tri(propan-2-yl)silyloxypropanal
CID 85312499
2-Triethylsilyloxypropanal
CID 85412362
2-[Butyl(dimethyl)silyl]oxypropanal
CID 87127239

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal (CID 166071460) is 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal is CC(C)(C)[Si](C)(C)CC(O)C=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal?
The InChIKey is SXKCOLAQSSBPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)7-8(11)6-10/h6,8,11H,7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal?
3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal has a molecular weight of 188.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]-2-hydroxypropanal is sourced from PubChem (CID 166071460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).