4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one

C18H27NO2Si — CID 24853704

IUPAC4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one
SMILESCC(=O)CCc1c[nH]c2ccc(O[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C18H27NO2Si/c1-13(20)7-8-14-12-19-17-10-9-15(11-16(14)17)21-22(5,6)18(2,3)4/h9-12,19H,7-8H2,1-6H3
InChIKeyPSKSYLJGSQPMKC-UHFFFAOYSA-N
MW317.51 g/mol
LogP5.07
Rot. Bonds5

About 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one

4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one (PubChem CID 24853704) has the molecular formula C18H27NO2Si and a molecular weight of 317.51 g/mol. Its IUPAC name is 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one.

Molecular Properties

Compound Name4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one
PubChem CID24853704
Molecular FormulaC18H27NO2Si
Molecular Weight317.51 g/mol
Exact Mass317.18
IUPAC Name4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one
SMILESCC(=O)CCc1c[nH]c2ccc(O[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C18H27NO2Si/c1-13(20)7-8-14-12-19-17-10-9-15(11-16(14)17)21-22(5,6)18(2,3)4/h9-12,19H,7-8H2,1-6H3
InChIKeyPSKSYLJGSQPMKC-UHFFFAOYSA-N
XLogP5.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane
CID 174163040
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-enoate
CID 140861796
5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
CID 148521037
[3-(2-aminoethyl)-1H-indol-5-yl] 5-oxohexanoate
CID 66807359
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
4-(6-chloro-5-methoxy-1H-indol-3-yl)butan-2-one
CID 82499388
3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one
CID 143093423
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187

Frequently Asked Questions

What is the IUPAC name of 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one?
The IUPAC name of 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one (CID 24853704) is 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one.
What is the SMILES notation for 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one?
The canonical SMILES for 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one is CC(=O)CCc1c[nH]c2ccc(O[Si](C)(C)C(C)(C)C)cc12.
What is the InChIKey of 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one?
The InChIKey is PSKSYLJGSQPMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2Si/c1-13(20)7-8-14-12-19-17-10-9-15(11-16(14)17)21-22(5,6)18(2,3)4/h9-12,19H,7-8H2,1-6H3.
What are the key properties of 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one?
4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one has a molecular weight of 317.51 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one is sourced from PubChem (CID 24853704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).