3-[tert-butyl(dimethyl)silyl]oxypropanal

C9H20O2Si — CID 3662392

IUPAC3-[tert-butyl(dimethyl)silyl]oxypropanal
SMILESCC(C)(C)[Si](C)(C)OCCC=O
InChIInChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h7H,6,8H2,1-5H3
InChIKeyWGWCJTNWUFFGFH-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.60
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxypropanal

3-[tert-butyl(dimethyl)silyl]oxypropanal (PubChem CID 3662392) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypropanal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypropanal
PubChem CID3662392
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypropanal
SMILESCC(C)(C)[Si](C)(C)OCCC=O
InChIInChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h7H,6,8H2,1-5H3
InChIKeyWGWCJTNWUFFGFH-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[tert-butyl(dimethyl)silyl]oxypropanal with MolForge

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

Launch Full Analysis

Related Compounds

3-((Tert-butyldimethylsilyl)oxy)-2,2-dimethylpropanal
CID 10656375
4-((Tert-butyldimethylsilyl)oxy)butanal
CID 10888976
3-((Tert-butyldimethylsilyl)oxy)-2-methylpropanal
CID 11041832
3-[(Tert-butyldimethylsilyl)oxy]-3-methylbutanal
CID 101526187
3-((Tert-butyldimethylsilyl)oxy)pentanal
CID 14280331
3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-(+)-3-(t-butyldimethylsilyloxy)-2-methylpropanal
CID 10241965
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
2-[Tert-butyl(dimethyl)silyl]propanal
CID 11789684
3-{[(Tert-butyldimethylsilyl)oxy]methyl}oxetane-3-carbaldehyde
CID 167739162
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10846404
(2R)-3-[(tert-butyldimethylsilyl)oxy]-2-methylpropanal
CID 10965592

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypropanal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypropanal (CID 3662392) is 3-[tert-butyl(dimethyl)silyl]oxypropanal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypropanal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypropanal is CC(C)(C)[Si](C)(C)OCCC=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypropanal?
The InChIKey is WGWCJTNWUFFGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h7H,6,8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypropanal?
3-[tert-butyl(dimethyl)silyl]oxypropanal has a molecular weight of 188.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypropanal is sourced from PubChem (CID 3662392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).