1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde

C15H21NOSi — CID 53414020

IUPAC1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)n1ccc2cc(C=O)ccc21
InChIInChI=1S/C15H21NOSi/c1-15(2,3)18(4,5)16-9-8-13-10-12(11-17)6-7-14(13)16/h6-11H,1-5H3
InChIKeyXQTJEKKGEABLHE-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.31
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde

1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde (PubChem CID 53414020) has the molecular formula C15H21NOSi and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde
PubChem CID53414020
Molecular FormulaC15H21NOSi
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)n1ccc2cc(C=O)ccc21
InChIInChI=1S/C15H21NOSi/c1-15(2,3)18(4,5)16-9-8-13-10-12(11-17)6-7-14(13)16/h6-11H,1-5H3
InChIKeyXQTJEKKGEABLHE-UHFFFAOYSA-N
XLogP4.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde (CID 53414020) is 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde is CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)ccc21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde?
The InChIKey is XQTJEKKGEABLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOSi/c1-15(2,3)18(4,5)16-9-8-13-10-12(11-17)6-7-14(13)16/h6-11H,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde?
1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde has a molecular weight of 259.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde is sourced from PubChem (CID 53414020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).