3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal

C10H22O3Si — CID 87848337

IUPAC3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal
SMILESCCCC[Si](C)(C)OCC(C=O)OC
InChIInChI=1S/C10H22O3Si/c1-5-6-7-14(3,4)13-9-10(8-11)12-2/h8,10H,5-7,9H2,1-4H3
InChIKeyUWAGEJGTUQKHIB-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.22
Rot. Bonds8

About 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal

3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal (PubChem CID 87848337) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal.

Molecular Properties

Compound Name3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal
PubChem CID87848337
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal
SMILESCCCC[Si](C)(C)OCC(C=O)OC
InChIInChI=1S/C10H22O3Si/c1-5-6-7-14(3,4)13-9-10(8-11)12-2/h8,10H,5-7,9H2,1-4H3
InChIKeyUWAGEJGTUQKHIB-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.22
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 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal 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 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The IUPAC name of 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal (CID 87848337) is 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal.
What is the SMILES notation for 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The canonical SMILES for 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal is CCCC[Si](C)(C)OCC(C=O)OC.
What is the InChIKey of 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal?
The InChIKey is UWAGEJGTUQKHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-5-6-7-14(3,4)13-9-10(8-11)12-2/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal?
3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal has a molecular weight of 218.37 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethyl)silyl]oxy-2-methoxypropanal is sourced from PubChem (CID 87848337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).