1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde

C15H21NOSi — CID 10083922

IUPAC1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)n1cc(C=O)c2ccccc21
InChIInChI=1S/C15H21NOSi/c1-15(2,3)18(4,5)16-10-12(11-17)13-8-6-7-9-14(13)16/h6-11H,1-5H3
InChIKeyONSXQJZJLQHWEQ-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.31
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde

1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde (PubChem CID 10083922) has the molecular formula C15H21NOSi and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde
PubChem CID10083922
Molecular FormulaC15H21NOSi
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)n1cc(C=O)c2ccccc21
InChIInChI=1S/C15H21NOSi/c1-15(2,3)18(4,5)16-10-12(11-17)13-8-6-7-9-14(13)16/h6-11H,1-5H3
InChIKeyONSXQJZJLQHWEQ-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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Related Compounds

tert-butyl-dimethyl-[3-[(1E,3E)-4-nitrobuta-1,3-dienyl]indol-1-yl]silane
CID 15456195
tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]sulfanylindol-1-yl]-dimethylsilane
CID 134865309
2,3-bis[1-[tert-butyl(dimethyl)silyl]indol-3-yl]-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 139715524
tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane
CID 167348834
1-chloroindole-3-carbaldehyde
CID 141112526
tert-butyl 3-formylindole-1-carboxylate
CID 2764519
1-(3-hydroxy-3-methylbutyl)indole-3-carbaldehyde
CID 79355612
1-phenoxyindole-3-carbaldehyde
CID 10220341
1-benzhydrylindole-3-carbaldehyde
CID 18973484
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
1-(2-chlorophenyl)indole-3-carbaldehyde
CID 87889462
tert-butyl-[(2S)-3-(3-formylindol-1-yl)-2-hydroxypropyl]azanium
CID 2147197

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde (CID 10083922) is 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde is CC(C)(C)[Si](C)(C)n1cc(C=O)c2ccccc21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde?
The InChIKey is ONSXQJZJLQHWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOSi/c1-15(2,3)18(4,5)16-10-12(11-17)13-8-6-7-9-14(13)16/h6-11H,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde?
1-[tert-butyl(dimethyl)silyl]indole-3-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-3-carbaldehyde is sourced from PubChem (CID 10083922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).