2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one

C26H43NO2Si — CID 15419309

IUPAC2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one
SMILESCCC(CC)(CC)C(=O)n1cc(CO[Si](C(C)C)(C(C)C)C(C)C)c2ccccc21
InChIInChI=1S/C26H43NO2Si/c1-10-26(11-2,12-3)25(28)27-17-22(23-15-13-14-16-24(23)27)18-29-30(19(4)5,20(6)7)21(8)9/h13-17,19-21H,10-12,18H2,1-9H3
InChIKeyKRZSGUGSSRMHNG-UHFFFAOYSA-N
MW429.72 g/mol
LogP8.19
Rot. Bonds10

About 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one

2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one (PubChem CID 15419309) has the molecular formula C26H43NO2Si and a molecular weight of 429.72 g/mol. Its IUPAC name is 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one.

Molecular Properties

Compound Name2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one
PubChem CID15419309
Molecular FormulaC26H43NO2Si
Molecular Weight429.72 g/mol
Exact Mass429.31
IUPAC Name2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one
SMILESCCC(CC)(CC)C(=O)n1cc(CO[Si](C(C)C)(C(C)C)C(C)C)c2ccccc21
InChIInChI=1S/C26H43NO2Si/c1-10-26(11-2,12-3)25(28)27-17-22(23-15-13-14-16-24(23)27)18-29-30(19(4)5,20(6)7)21(8)9/h13-17,19-21H,10-12,18H2,1-9H3
InChIKeyKRZSGUGSSRMHNG-UHFFFAOYSA-N
XLogP8.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.72
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[1-[(2S,3S)-2-amino-3-methylpentanoyl]indol-3-yl]propanoic acid
CID 57263152
2,2,2-trifluoro-1-[3-(2-hydroxyethyl)indol-1-yl]ethanone
CID 91714492
3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid
CID 56619053
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
1-(3-ethylindol-1-yl)-2-iodoethanone
CID 142121181
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
amino 3-[(2R)-2-aminopropyl]indole-1-carboxylate
CID 57120614
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
CID 175590036
tert-butyl 3-(3-hydroxybutyl)indole-1-carboxylate
CID 135013234
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457
2-[1-(2,2-dimethylbutanoyl)indol-3-yl]ethylazanium;2,2,2-trifluoroacetate
CID 158324865

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one?
The IUPAC name of 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one (CID 15419309) is 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one.
What is the SMILES notation for 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one?
The canonical SMILES for 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one is CCC(CC)(CC)C(=O)n1cc(CO[Si](C(C)C)(C(C)C)C(C)C)c2ccccc21.
What is the InChIKey of 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one?
The InChIKey is KRZSGUGSSRMHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO2Si/c1-10-26(11-2,12-3)25(28)27-17-22(23-15-13-14-16-24(23)27)18-29-30(19(4)5,20(6)7)21(8)9/h13-17,19-21H,10-12,18H2,1-9H3.
What are the key properties of 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one?
2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one has a molecular weight of 429.72 g/mol, XLogP of 8.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-[3-[tri(propan-2-yl)silyloxymethyl]indol-1-yl]butan-1-one is sourced from PubChem (CID 15419309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).