methyl 4-(1-trimethylsilylindol-3-yl)butanoate

C16H23NO2Si — CID 608683

IUPACmethyl 4-(1-trimethylsilylindol-3-yl)butanoate
SMILESCOC(=O)CCCc1cn([Si](C)(C)C)c2ccccc12
InChIInChI=1S/C16H23NO2Si/c1-19-16(18)11-7-8-13-12-17(20(2,3)4)15-10-6-5-9-14(13)15/h5-6,9-10,12H,7-8,11H2,1-4H3
InChIKeyYBPHHYVMXBAUBN-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.82
Rot. Bonds5

About methyl 4-(1-trimethylsilylindol-3-yl)butanoate

methyl 4-(1-trimethylsilylindol-3-yl)butanoate (PubChem CID 608683) has the molecular formula C16H23NO2Si and a molecular weight of 289.45 g/mol. Its IUPAC name is methyl 4-(1-trimethylsilylindol-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-trimethylsilylindol-3-yl)butanoate
PubChem CID608683
Molecular FormulaC16H23NO2Si
Molecular Weight289.45 g/mol
Exact Mass289.15
IUPAC Namemethyl 4-(1-trimethylsilylindol-3-yl)butanoate
SMILESCOC(=O)CCCc1cn([Si](C)(C)C)c2ccccc12
InChIInChI=1S/C16H23NO2Si/c1-19-16(18)11-7-8-13-12-17(20(2,3)4)15-10-6-5-9-14(13)15/h5-6,9-10,12H,7-8,11H2,1-4H3
InChIKeyYBPHHYVMXBAUBN-UHFFFAOYSA-N
XLogP3.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(1-hydroxyindol-3-yl)butanoate
CID 10900530
2-(1-trimethylsilylindol-3-yl)acetamide
CID 608675
[2,3,4,5,6-pentakis(trimethylsilyloxy)cyclohexyl] 2-(1-trimethylsilylindol-3-yl)acetate
CID 615196
methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
4-(1-methylindol-3-yl)butanamide
CID 175206986
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
methyl 2-(1-hydroxyindol-3-yl)acetate
CID 15081201
2-(1-trimethylsilylindol-3-yl)acetonitrile
CID 553531
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-trimethylsilylindol-3-yl)butanoate?
The IUPAC name of methyl 4-(1-trimethylsilylindol-3-yl)butanoate (CID 608683) is methyl 4-(1-trimethylsilylindol-3-yl)butanoate.
What is the SMILES notation for methyl 4-(1-trimethylsilylindol-3-yl)butanoate?
The canonical SMILES for methyl 4-(1-trimethylsilylindol-3-yl)butanoate is COC(=O)CCCc1cn([Si](C)(C)C)c2ccccc12.
What is the InChIKey of methyl 4-(1-trimethylsilylindol-3-yl)butanoate?
The InChIKey is YBPHHYVMXBAUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2Si/c1-19-16(18)11-7-8-13-12-17(20(2,3)4)15-10-6-5-9-14(13)15/h5-6,9-10,12H,7-8,11H2,1-4H3.
What are the key properties of methyl 4-(1-trimethylsilylindol-3-yl)butanoate?
methyl 4-(1-trimethylsilylindol-3-yl)butanoate has a molecular weight of 289.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-trimethylsilylindol-3-yl)butanoate is sourced from PubChem (CID 608683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).