diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate

C27H43NO5Si — CID 134906719

IUPACdiethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate
SMILESCCOC(=O)C(CCc1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(OC)cc12)C(=O)OCC
InChIInChI=1S/C27H43NO5Si/c1-10-32-26(29)23(27(30)33-11-2)14-12-21-17-28(25-15-13-22(31-9)16-24(21)25)34(18(3)4,19(5)6)20(7)8/h13,15-20,23H,10-12,14H2,1-9H3
InChIKeyHUXAALBJCBYULU-UHFFFAOYSA-N
MW489.73 g/mol
LogP6.35
Rot. Bonds12

About diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate

diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate (PubChem CID 134906719) has the molecular formula C27H43NO5Si and a molecular weight of 489.73 g/mol. Its IUPAC name is diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate
PubChem CID134906719
Molecular FormulaC27H43NO5Si
Molecular Weight489.73 g/mol
Exact Mass489.29
IUPAC Namediethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate
SMILESCCOC(=O)C(CCc1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(OC)cc12)C(=O)OCC
InChIInChI=1S/C27H43NO5Si/c1-10-32-26(29)23(27(30)33-11-2)14-12-21-17-28(25-15-13-22(31-9)16-24(21)25)34(18(3)4,19(5)6)20(7)8/h13,15-20,23H,10-12,14H2,1-9H3
InChIKeyHUXAALBJCBYULU-UHFFFAOYSA-N
XLogP6.35
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.73
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
tert-butyl 3-[(2S)-2-aminopropyl]-5-methoxyindole-1-carboxylate
CID 153425987
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
[5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane
CID 101453372
ethyl 2-(bromomethyl)-4-methoxybenzoate
CID 10333471
4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide
CID 142685445
ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
CID 23315285
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
3-[1-(4-ethoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 71213005
ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate
CID 10356712

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate?
The IUPAC name of diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate (CID 134906719) is diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate.
What is the SMILES notation for diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate?
The canonical SMILES for diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate is CCOC(=O)C(CCc1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(OC)cc12)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate?
The InChIKey is HUXAALBJCBYULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO5Si/c1-10-32-26(29)23(27(30)33-11-2)14-12-21-17-28(25-15-13-22(31-9)16-24(21)25)34(18(3)4,19(5)6)20(7)8/h13,15-20,23H,10-12,14H2,1-9H3.
What are the key properties of diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate?
diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate has a molecular weight of 489.73 g/mol, XLogP of 6.35, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate is sourced from PubChem (CID 134906719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).