3-trihydroxysilylpropanal

C3H8O4Si — CID 150507926

IUPAC3-trihydroxysilylpropanal
SMILESO=CCC[Si](O)(O)O
InChIInChI=1S/C3H8O4Si/c4-2-1-3-8(5,6)7/h2,5-7H,1,3H2
InChIKeyHZFKXUWUNDKVKH-UHFFFAOYSA-N
MW136.18 g/mol
LogP-1.51
Rot. Bonds3

About 3-trihydroxysilylpropanal

3-trihydroxysilylpropanal (PubChem CID 150507926) has the molecular formula C3H8O4Si and a molecular weight of 136.18 g/mol. Its IUPAC name is 3-trihydroxysilylpropanal.

Molecular Properties

Compound Name3-trihydroxysilylpropanal
PubChem CID150507926
Molecular FormulaC3H8O4Si
Molecular Weight136.18 g/mol
Exact Mass136.02
IUPAC Name3-trihydroxysilylpropanal
SMILESO=CCC[Si](O)(O)O
InChIInChI=1S/C3H8O4Si/c4-2-1-3-8(5,6)7/h2,5-7H,1,3H2
InChIKeyHZFKXUWUNDKVKH-UHFFFAOYSA-N
XLogP-1.51
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
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

Propanal, 3-(trimethoxysilyl)-
CID 11805310
Propanal, 2-(trimethoxysilyl)-
CID 11769108
3-Silyloxysilylpropanal
CID 173390576

Frequently Asked Questions

What is the IUPAC name of 3-trihydroxysilylpropanal?
The IUPAC name of 3-trihydroxysilylpropanal (CID 150507926) is 3-trihydroxysilylpropanal.
What is the SMILES notation for 3-trihydroxysilylpropanal?
The canonical SMILES for 3-trihydroxysilylpropanal is O=CCC[Si](O)(O)O.
What is the InChIKey of 3-trihydroxysilylpropanal?
The InChIKey is HZFKXUWUNDKVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4Si/c4-2-1-3-8(5,6)7/h2,5-7H,1,3H2.
What are the key properties of 3-trihydroxysilylpropanal?
3-trihydroxysilylpropanal has a molecular weight of 136.18 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trihydroxysilylpropanal is sourced from PubChem (CID 150507926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).