4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid

C18H24N2O3Si — CID 24720952

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C(=O)O)cc2c1ccn2CCC#N
InChIInChI=1S/C18H24N2O3Si/c1-18(2,3)24(4,5)23-16-12-13(17(21)22)11-15-14(16)7-10-20(15)9-6-8-19/h7,10-12H,6,9H2,1-5H3,(H,21,22)
InChIKeyBJLCPARABALTIE-UHFFFAOYSA-N
MW344.49 g/mol
LogP4.64
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid

4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid (PubChem CID 24720952) has the molecular formula C18H24N2O3Si and a molecular weight of 344.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid
PubChem CID24720952
Molecular FormulaC18H24N2O3Si
Molecular Weight344.49 g/mol
Exact Mass344.16
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C(=O)O)cc2c1ccn2CCC#N
InChIInChI=1S/C18H24N2O3Si/c1-18(2,3)24(4,5)23-16-12-13(17(21)22)11-15-14(16)7-10-20(15)9-6-8-19/h7,10-12H,6,9H2,1-5H3,(H,21,22)
InChIKeyBJLCPARABALTIE-UHFFFAOYSA-N
XLogP4.64
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 54.64
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-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid (CID 24720952) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid is CC(C)(C)[Si](C)(C)Oc1cc(C(=O)O)cc2c1ccn2CCC#N.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid?
The InChIKey is BJLCPARABALTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3Si/c1-18(2,3)24(4,5)23-16-12-13(17(21)22)11-15-14(16)7-10-20(15)9-6-8-19/h7,10-12H,6,9H2,1-5H3,(H,21,22).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid?
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid has a molecular weight of 344.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-cyanoethyl)indole-6-carboxylic acid is sourced from PubChem (CID 24720952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).