2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid

C16H23NO3Si — CID 22170985

IUPAC2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
SMILESC[Si](C)(C)CCOCn1cc(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H23NO3Si/c1-21(2,3)9-8-20-12-17-11-13(10-16(18)19)14-6-4-5-7-15(14)17/h4-7,11H,8-10,12H2,1-3H3,(H,18,19)
InChIKeyLSDSTNIHNHVCDG-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.58
Rot. Bonds7

About 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid

2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid (PubChem CID 22170985) has the molecular formula C16H23NO3Si and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
PubChem CID22170985
Molecular FormulaC16H23NO3Si
Molecular Weight305.45 g/mol
Exact Mass305.14
IUPAC Name2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
SMILESC[Si](C)(C)CCOCn1cc(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H23NO3Si/c1-21(2,3)9-8-20-12-17-11-13(10-16(18)19)14-6-4-5-7-15(14)17/h4-7,11H,8-10,12H2,1-3H3,(H,18,19)
InChIKeyLSDSTNIHNHVCDG-UHFFFAOYSA-N
XLogP3.58
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid (CID 22170985) is 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid is C[Si](C)(C)CCOCn1cc(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid?
The InChIKey is LSDSTNIHNHVCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3Si/c1-21(2,3)9-8-20-12-17-11-13(10-16(18)19)14-6-4-5-7-15(14)17/h4-7,11H,8-10,12H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid?
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid has a molecular weight of 305.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid is sourced from PubChem (CID 22170985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).