tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate

C19H29NO3Si — CID 16654571

IUPACtert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ccc(O[Si](C)(C)C(C)(C)C)cc21
InChIInChI=1S/C19H29NO3Si/c1-18(2,3)22-17(21)20-12-11-14-9-10-15(13-16(14)20)23-24(7,8)19(4,5)6/h9-13H,1-8H3
InChIKeyPHFPKZLHDGIVMM-UHFFFAOYSA-N
MW347.53 g/mol
LogP5.81
Rot. Bonds2

About tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate

tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate (PubChem CID 16654571) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
PubChem CID16654571
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Nametert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ccc(O[Si](C)(C)C(C)(C)C)cc21
InChIInChI=1S/C19H29NO3Si/c1-18(2,3)22-17(21)20-12-11-14-9-10-15(13-16(14)20)23-24(7,8)19(4,5)6/h9-13H,1-8H3
InChIKeyPHFPKZLHDGIVMM-UHFFFAOYSA-N
XLogP5.81
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate?
The IUPAC name of tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate (CID 16654571) is tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate?
The canonical SMILES for tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate is CC(C)(C)OC(=O)n1ccc2ccc(O[Si](C)(C)C(C)(C)C)cc21.
What is the InChIKey of tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate?
The InChIKey is PHFPKZLHDGIVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-18(2,3)22-17(21)20-12-11-14-9-10-15(13-16(14)20)23-24(7,8)19(4,5)6/h9-13H,1-8H3.
What are the key properties of tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate?
tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate has a molecular weight of 347.53 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate is sourced from PubChem (CID 16654571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).