3-triethylsilylbutanal

C10H22OSi — CID 54521827

IUPAC3-triethylsilylbutanal
SMILESCC[Si](CC)(CC)C(C)CC=O
InChIInChI=1S/C10H22OSi/c1-5-12(6-2,7-3)10(4)8-9-11/h9-10H,5-8H2,1-4H3
InChIKeyYQIQWLAYSIEAAI-UHFFFAOYSA-N
MW186.37 g/mol
LogP3.47
Rot. Bonds6

About 3-triethylsilylbutanal

3-triethylsilylbutanal (PubChem CID 54521827) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is 3-triethylsilylbutanal.

Molecular Properties

Compound Name3-triethylsilylbutanal
PubChem CID54521827
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name3-triethylsilylbutanal
SMILESCC[Si](CC)(CC)C(C)CC=O
InChIInChI=1S/C10H22OSi/c1-5-12(6-2,7-3)10(4)8-9-11/h9-10H,5-8H2,1-4H3
InChIKeyYQIQWLAYSIEAAI-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-triethylsilylbutanal?
The IUPAC name of 3-triethylsilylbutanal (CID 54521827) is 3-triethylsilylbutanal.
What is the SMILES notation for 3-triethylsilylbutanal?
The canonical SMILES for 3-triethylsilylbutanal is CC[Si](CC)(CC)C(C)CC=O.
What is the InChIKey of 3-triethylsilylbutanal?
The InChIKey is YQIQWLAYSIEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi/c1-5-12(6-2,7-3)10(4)8-9-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-triethylsilylbutanal?
3-triethylsilylbutanal has a molecular weight of 186.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilylbutanal is sourced from PubChem (CID 54521827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).