ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate

C19H29NO3Si — CID 71206188

IUPACethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO3Si/c1-7-22-18(21)17-14-15-10-8-9-11-16(15)20(17)12-13-23-24(5,6)19(2,3)4/h8-11,14H,7,12-13H2,1-6H3
InChIKeyBLUJSYRAZXCYJX-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.84
Rot. Bonds6

About ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate

ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate (PubChem CID 71206188) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
PubChem CID71206188
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Nameethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO3Si/c1-7-22-18(21)17-14-15-10-8-9-11-16(15)20(17)12-13-23-24(5,6)19(2,3)4/h8-11,14H,7,12-13H2,1-6H3
InChIKeyBLUJSYRAZXCYJX-UHFFFAOYSA-N
XLogP4.84
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.84
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 ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate?
The IUPAC name of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate (CID 71206188) is ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate is CCOC(=O)c1cc2ccccc2n1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate?
The InChIKey is BLUJSYRAZXCYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-7-22-18(21)17-14-15-10-8-9-11-16(15)20(17)12-13-23-24(5,6)19(2,3)4/h8-11,14H,7,12-13H2,1-6H3.
What are the key properties of ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate?
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate has a molecular weight of 347.53 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate is sourced from PubChem (CID 71206188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).