tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate

C19H27NO3Si — CID 102225154

IUPACtert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate
SMILESC=C(C)c1c(O[Si](C)(C)C)n(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C19H27NO3Si/c1-13(2)16-14-11-9-10-12-15(14)20(17(16)23-24(6,7)8)18(21)22-19(3,4)5/h9-12H,1H2,2-8H3
InChIKeyXUGIYDJNESBSGF-UHFFFAOYSA-N
MW345.52 g/mol
LogP5.67
Rot. Bonds3

About tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate

tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate (PubChem CID 102225154) has the molecular formula C19H27NO3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate
PubChem CID102225154
Molecular FormulaC19H27NO3Si
Molecular Weight345.52 g/mol
Exact Mass345.18
IUPAC Nametert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate
SMILESC=C(C)c1c(O[Si](C)(C)C)n(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C19H27NO3Si/c1-13(2)16-14-11-9-10-12-15(14)20(17(16)23-24(6,7)8)18(21)22-19(3,4)5/h9-12H,1H2,2-8H3
InChIKeyXUGIYDJNESBSGF-UHFFFAOYSA-N
XLogP5.67
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.52
LogP ≤ 55.67
H-Bond Donors ≤ 50
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 tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate?
The IUPAC name of tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate (CID 102225154) is tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate?
The canonical SMILES for tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate is C=C(C)c1c(O[Si](C)(C)C)n(C(=O)OC(C)(C)C)c2ccccc12.
What is the InChIKey of tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate?
The InChIKey is XUGIYDJNESBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-13(2)16-14-11-9-10-12-15(14)20(17(16)23-24(6,7)8)18(21)22-19(3,4)5/h9-12H,1H2,2-8H3.
What are the key properties of tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate?
tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate has a molecular weight of 345.52 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-prop-1-en-2-yl-2-trimethylsilyloxyindole-1-carboxylate is sourced from PubChem (CID 102225154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).