2-trimethoxysilylpropanal

C6H14O4Si — CID 11769108

IUPAC2-trimethoxysilylpropanal
SMILESCO[Si](OC)(OC)C(C)C=O
InChIInChI=1S/C6H14O4Si/c1-6(5-7)11(8-2,9-3)10-4/h5-6H,1-4H3
InChIKeyZSPZGQROIGAVRR-UHFFFAOYSA-N
MW178.26 g/mol
LogP0.45
Rot. Bonds5

About 2-trimethoxysilylpropanal

2-trimethoxysilylpropanal (PubChem CID 11769108) has the molecular formula C6H14O4Si and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-trimethoxysilylpropanal.

Molecular Properties

Compound Name2-trimethoxysilylpropanal
PubChem CID11769108
Molecular FormulaC6H14O4Si
Molecular Weight178.26 g/mol
Exact Mass178.07
IUPAC Name2-trimethoxysilylpropanal
SMILESCO[Si](OC)(OC)C(C)C=O
InChIInChI=1S/C6H14O4Si/c1-6(5-7)11(8-2,9-3)10-4/h5-6H,1-4H3
InChIKeyZSPZGQROIGAVRR-UHFFFAOYSA-N
XLogP0.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Triethoxysilylbutyraldehyde
CID 44516815
Propanal, 3-(trimethoxysilyl)-
CID 11805310
3-(Triethoxysilyl)propanal
CID 22118046
3-Trimethylsilylpropanal
CID 10986254
2-Methyl-3-(triethoxysilyl)propanal
CID 71409533
2-Trimethylsilyl-1-propanal
CID 11040736
Trimethoxysilylbutanal
CID 87390606
Trimethoxysilylproponal
CID 129868776
3-Trihydroxysilylpropanal
CID 150507926
4-(Trimethoxysilyl)butanal
CID 10285853
(2S)-2-trimethylsilylpropanal
CID 12714008
3-[Diethoxy(methyl)silyl]propanal
CID 17992348

Frequently Asked Questions

What is the IUPAC name of 2-trimethoxysilylpropanal?
The IUPAC name of 2-trimethoxysilylpropanal (CID 11769108) is 2-trimethoxysilylpropanal.
What is the SMILES notation for 2-trimethoxysilylpropanal?
The canonical SMILES for 2-trimethoxysilylpropanal is CO[Si](OC)(OC)C(C)C=O.
What is the InChIKey of 2-trimethoxysilylpropanal?
The InChIKey is ZSPZGQROIGAVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4Si/c1-6(5-7)11(8-2,9-3)10-4/h5-6H,1-4H3.
What are the key properties of 2-trimethoxysilylpropanal?
2-trimethoxysilylpropanal has a molecular weight of 178.26 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylpropanal is sourced from PubChem (CID 11769108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).