3-(3-trimethoxysilylpropoxy)propanal

C9H20O5Si — CID 174937943

IUPAC3-(3-trimethoxysilylpropoxy)propanal
SMILESCO[Si](CCCOCCC=O)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-11-15(12-2,13-3)9-5-8-14-7-4-6-10/h6H,4-5,7-9H2,1-3H3
InChIKeyFNSFQBLJLMROAE-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.86
Rot. Bonds10

About 3-(3-trimethoxysilylpropoxy)propanal

3-(3-trimethoxysilylpropoxy)propanal (PubChem CID 174937943) has the molecular formula C9H20O5Si and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(3-trimethoxysilylpropoxy)propanal.

Molecular Properties

Compound Name3-(3-trimethoxysilylpropoxy)propanal
PubChem CID174937943
Molecular FormulaC9H20O5Si
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-(3-trimethoxysilylpropoxy)propanal
SMILESCO[Si](CCCOCCC=O)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-11-15(12-2,13-3)9-5-8-14-7-4-6-10/h6H,4-5,7-9H2,1-3H3
InChIKeyFNSFQBLJLMROAE-UHFFFAOYSA-N
XLogP0.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-trimethoxysilylpropoxy)propanal 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-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
3-heptoxypropanal
CID 59708059
3-(fluoromethoxy)propyl-trimethoxysilane
CID 58238485
3-(3-silylpropoxy)propanal
CID 174928401
3-(3-dimethoxysilylpropoxy)propyl-trimethoxysilane
CID 157097284
trimethoxy-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]silane
CID 155614579
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435287
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
CID 177180522

Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethoxysilylpropoxy)propanal?
The IUPAC name of 3-(3-trimethoxysilylpropoxy)propanal (CID 174937943) is 3-(3-trimethoxysilylpropoxy)propanal.
What is the SMILES notation for 3-(3-trimethoxysilylpropoxy)propanal?
The canonical SMILES for 3-(3-trimethoxysilylpropoxy)propanal is CO[Si](CCCOCCC=O)(OC)OC.
What is the InChIKey of 3-(3-trimethoxysilylpropoxy)propanal?
The InChIKey is FNSFQBLJLMROAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si/c1-11-15(12-2,13-3)9-5-8-14-7-4-6-10/h6H,4-5,7-9H2,1-3H3.
What are the key properties of 3-(3-trimethoxysilylpropoxy)propanal?
3-(3-trimethoxysilylpropoxy)propanal has a molecular weight of 236.34 g/mol, XLogP of 0.86, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethoxysilylpropoxy)propanal is sourced from PubChem (CID 174937943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).