3-tert-butylsilyloxy-2-hydroxypropanal

C7H16O3Si — CID 123815494

IUPAC3-tert-butylsilyloxy-2-hydroxypropanal
SMILESCC(C)(C)[SiH2]OCC(O)C=O
InChIInChI=1S/C7H16O3Si/c1-7(2,3)11-10-5-6(9)4-8/h4,6,9H,5,11H2,1-3H3
InChIKeyYNWJSQUPUBEEAJ-UHFFFAOYSA-N
MW176.29 g/mol
LogP-0.14
Rot. Bonds4

About 3-tert-butylsilyloxy-2-hydroxypropanal

3-tert-butylsilyloxy-2-hydroxypropanal (PubChem CID 123815494) has the molecular formula C7H16O3Si and a molecular weight of 176.29 g/mol. Its IUPAC name is 3-tert-butylsilyloxy-2-hydroxypropanal.

Molecular Properties

Compound Name3-tert-butylsilyloxy-2-hydroxypropanal
PubChem CID123815494
Molecular FormulaC7H16O3Si
Molecular Weight176.29 g/mol
Exact Mass176.09
IUPAC Name3-tert-butylsilyloxy-2-hydroxypropanal
SMILESCC(C)(C)[SiH2]OCC(O)C=O
InChIInChI=1S/C7H16O3Si/c1-7(2,3)11-10-5-6(9)4-8/h4,6,9H,5,11H2,1-3H3
InChIKeyYNWJSQUPUBEEAJ-UHFFFAOYSA-N
XLogP-0.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
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-butyl(dimethyl)silyl]oxy-2-hydroxypropanal
CID 91569808
2,3-Dihydroxy-1-trimethoxysilylpropan-1-one;hydrate
CID 141042064
2-Hydroxy-3-trimethylsilyloxypropanal
CID 175139139
(2S)-3-hydroxy-2-tri(propan-2-yl)silyloxypropanal
CID 11311180

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsilyloxy-2-hydroxypropanal?
The IUPAC name of 3-tert-butylsilyloxy-2-hydroxypropanal (CID 123815494) is 3-tert-butylsilyloxy-2-hydroxypropanal.
What is the SMILES notation for 3-tert-butylsilyloxy-2-hydroxypropanal?
The canonical SMILES for 3-tert-butylsilyloxy-2-hydroxypropanal is CC(C)(C)[SiH2]OCC(O)C=O.
What is the InChIKey of 3-tert-butylsilyloxy-2-hydroxypropanal?
The InChIKey is YNWJSQUPUBEEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3Si/c1-7(2,3)11-10-5-6(9)4-8/h4,6,9H,5,11H2,1-3H3.
What are the key properties of 3-tert-butylsilyloxy-2-hydroxypropanal?
3-tert-butylsilyloxy-2-hydroxypropanal has a molecular weight of 176.29 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsilyloxy-2-hydroxypropanal is sourced from PubChem (CID 123815494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).