2-triethylsilyloxybutanoic acid

C10H22O3Si — CID 57194629

IUPAC2-triethylsilyloxybutanoic acid
SMILESCCC(O[Si](CC)(CC)CC)C(=O)O
InChIInChI=1S/C10H22O3Si/c1-5-9(10(11)12)13-14(6-2,7-3)8-4/h9H,5-8H2,1-4H3,(H,11,12)
InChIKeyVZCANTADTFWUQP-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.87
Rot. Bonds7

About 2-triethylsilyloxybutanoic acid

2-triethylsilyloxybutanoic acid (PubChem CID 57194629) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-triethylsilyloxybutanoic acid.

Molecular Properties

Compound Name2-triethylsilyloxybutanoic acid
PubChem CID57194629
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name2-triethylsilyloxybutanoic acid
SMILESCCC(O[Si](CC)(CC)CC)C(=O)O
InChIInChI=1S/C10H22O3Si/c1-5-9(10(11)12)13-14(6-2,7-3)8-4/h9H,5-8H2,1-4H3,(H,11,12)
InChIKeyVZCANTADTFWUQP-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-triethylsilyloxybutanoic acid?
The IUPAC name of 2-triethylsilyloxybutanoic acid (CID 57194629) is 2-triethylsilyloxybutanoic acid.
What is the SMILES notation for 2-triethylsilyloxybutanoic acid?
The canonical SMILES for 2-triethylsilyloxybutanoic acid is CCC(O[Si](CC)(CC)CC)C(=O)O.
What is the InChIKey of 2-triethylsilyloxybutanoic acid?
The InChIKey is VZCANTADTFWUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-5-9(10(11)12)13-14(6-2,7-3)8-4/h9H,5-8H2,1-4H3,(H,11,12).
What are the key properties of 2-triethylsilyloxybutanoic acid?
2-triethylsilyloxybutanoic acid has a molecular weight of 218.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethylsilyloxybutanoic acid is sourced from PubChem (CID 57194629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).