2-[butyl(dimethyl)silyl]oxypropanal

C9H20O2Si — CID 87127239

IUPAC2-[butyl(dimethyl)silyl]oxypropanal
SMILESCCCC[Si](C)(C)OC(C)C=O
InChIInChI=1S/C9H20O2Si/c1-5-6-7-12(3,4)11-9(2)8-10/h8-9H,5-7H2,1-4H3
InChIKeyUKEGVGAVNLDSRI-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.60
Rot. Bonds6

About 2-[butyl(dimethyl)silyl]oxypropanal

2-[butyl(dimethyl)silyl]oxypropanal (PubChem CID 87127239) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-[butyl(dimethyl)silyl]oxypropanal.

Molecular Properties

Compound Name2-[butyl(dimethyl)silyl]oxypropanal
PubChem CID87127239
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-[butyl(dimethyl)silyl]oxypropanal
SMILESCCCC[Si](C)(C)OC(C)C=O
InChIInChI=1S/C9H20O2Si/c1-5-6-7-12(3,4)11-9(2)8-10/h8-9H,5-7H2,1-4H3
InChIKeyUKEGVGAVNLDSRI-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl-dimethyl-tetradecan-2-yloxysilane
CID 554593
[butyl(dimethyl)silyl] hypochlorite
CID 70356741
2-[butyl(dimethyl)silyl]oxyhexadecanoic acid
CID 87408863
3-[butyl(dimethyl)silyl]oxy-2-methylpropan-1-amine
CID 87312720
dibutyl-methyl-propan-2-yloxysilane
CID 87144451
(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 11075239
butyl-dimethyl-[(1R)-1-(oxiran-2-yl)propoxy]silane
CID 87356487
[butyl(dimethyl)silyl] acetate
CID 22926546
butan-2-yloxy-dimethyl-propylsilane
CID 87645546
3-bromobutoxy-butyl-dimethylsilane
CID 175822567
dibutyl-(chloromethyl)-propan-2-yloxysilane
CID 23146703
but-3-en-2-yloxy-ethyl-dimethylsilane
CID 142673739

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(dimethyl)silyl]oxypropanal?
The IUPAC name of 2-[butyl(dimethyl)silyl]oxypropanal (CID 87127239) is 2-[butyl(dimethyl)silyl]oxypropanal.
What is the SMILES notation for 2-[butyl(dimethyl)silyl]oxypropanal?
The canonical SMILES for 2-[butyl(dimethyl)silyl]oxypropanal is CCCC[Si](C)(C)OC(C)C=O.
What is the InChIKey of 2-[butyl(dimethyl)silyl]oxypropanal?
The InChIKey is UKEGVGAVNLDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-6-7-12(3,4)11-9(2)8-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[butyl(dimethyl)silyl]oxypropanal?
2-[butyl(dimethyl)silyl]oxypropanal has a molecular weight of 188.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dimethyl)silyl]oxypropanal is sourced from PubChem (CID 87127239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).