(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal

C12H26O3Si — CID 58593345

IUPAC(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal
SMILESCCOC[C@@](C)(C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C12H26O3Si/c1-6-14-11-12(5,10-13)15-16(7-2,8-3)9-4/h10H,6-9,11H2,1-5H3/t12-/m1/s1
InChIKeyACKNXHOUVWTZJG-GFCCVEGCSA-N
MW246.42 g/mol
LogP3.00
Rot. Bonds9

About (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal

(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal (PubChem CID 58593345) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal.

Molecular Properties

Compound Name(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal
PubChem CID58593345
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal
SMILESCCOC[C@@](C)(C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C12H26O3Si/c1-6-14-11-12(5,10-13)15-16(7-2,8-3)9-4/h10H,6-9,11H2,1-5H3/t12-/m1/s1
InChIKeyACKNXHOUVWTZJG-GFCCVEGCSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.00
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'}

Analyze (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal?
The IUPAC name of (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal (CID 58593345) is (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal.
What is the SMILES notation for (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal?
The canonical SMILES for (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal is CCOC[C@@](C)(C=O)O[Si](CC)(CC)CC.
What is the InChIKey of (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal?
The InChIKey is ACKNXHOUVWTZJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-6-14-11-12(5,10-13)15-16(7-2,8-3)9-4/h10H,6-9,11H2,1-5H3/t12-/m1/s1.
What are the key properties of (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal?
(2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal has a molecular weight of 246.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethoxy-2-methyl-2-triethylsilyloxypropanal is sourced from PubChem (CID 58593345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).