4-triethoxysilylbutanoic acid

C10H22O5Si — CID 22002212

IUPAC4-triethoxysilylbutanoic acid
SMILESCCO[Si](CCCC(=O)O)(OCC)OCC
InChIInChI=1S/C10H22O5Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-10(11)12/h4-9H2,1-3H3,(H,11,12)
InChIKeyMLTLWTJERLVODH-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.90
Rot. Bonds10

About 4-triethoxysilylbutanoic acid

4-triethoxysilylbutanoic acid (PubChem CID 22002212) has the molecular formula C10H22O5Si and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-triethoxysilylbutanoic acid.

Molecular Properties

Compound Name4-triethoxysilylbutanoic acid
PubChem CID22002212
Molecular FormulaC10H22O5Si
Molecular Weight250.37 g/mol
Exact Mass250.12
IUPAC Name4-triethoxysilylbutanoic acid
SMILESCCO[Si](CCCC(=O)O)(OCC)OCC
InChIInChI=1S/C10H22O5Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-10(11)12/h4-9H2,1-3H3,(H,11,12)
InChIKeyMLTLWTJERLVODH-UHFFFAOYSA-N
XLogP1.90
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylbutanoic acid?
The IUPAC name of 4-triethoxysilylbutanoic acid (CID 22002212) is 4-triethoxysilylbutanoic acid.
What is the SMILES notation for 4-triethoxysilylbutanoic acid?
The canonical SMILES for 4-triethoxysilylbutanoic acid is CCO[Si](CCCC(=O)O)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylbutanoic acid?
The InChIKey is MLTLWTJERLVODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-10(11)12/h4-9H2,1-3H3,(H,11,12).
What are the key properties of 4-triethoxysilylbutanoic acid?
4-triethoxysilylbutanoic acid has a molecular weight of 250.37 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylbutanoic acid is sourced from PubChem (CID 22002212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).