ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate

C27H37NO3Si — CID 10049503

IUPACethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate
SMILESCCOC(=O)c1c(O[Si](C(C)C)(C(C)C)C(C)C)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C27H37NO3Si/c1-8-30-27(29)25-23-16-12-13-17-24(23)28(18-22-14-10-9-11-15-22)26(25)31-32(19(2)3,20(4)5)21(6)7/h9-17,19-21H,8,18H2,1-7H3
InChIKeyVPALSLLSAIWGRZ-UHFFFAOYSA-N
MW451.68 g/mol
LogP7.42
Rot. Bonds9

About ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate

ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate (PubChem CID 10049503) has the molecular formula C27H37NO3Si and a molecular weight of 451.68 g/mol. Its IUPAC name is ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate
PubChem CID10049503
Molecular FormulaC27H37NO3Si
Molecular Weight451.68 g/mol
Exact Mass451.25
IUPAC Nameethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate
SMILESCCOC(=O)c1c(O[Si](C(C)C)(C(C)C)C(C)C)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C27H37NO3Si/c1-8-30-27(29)25-23-16-12-13-17-24(23)28(18-22-14-10-9-11-15-22)26(25)31-32(19(2)3,20(4)5)21(6)7/h9-17,19-21H,8,18H2,1-7H3
InChIKeyVPALSLLSAIWGRZ-UHFFFAOYSA-N
XLogP7.42
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
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ethyl 5-benzyl-4-(hydroxymethyl)pyrimido[5,4-b]indole-2-carboxylate
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ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 69477265
diethyl 2-(5-benzyl-4-oxopyrano[3,2-b]indol-3-yl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 10369532
ethyl 9-benzyl-2-piperidin-1-ylpyrido[2,3-b]indole-3-carboxylate
CID 57229550
ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate
CID 86744180
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CID 67238833

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate (CID 10049503) is ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate is CCOC(=O)c1c(O[Si](C(C)C)(C(C)C)C(C)C)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate?
The InChIKey is VPALSLLSAIWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO3Si/c1-8-30-27(29)25-23-16-12-13-17-24(23)28(18-22-14-10-9-11-15-22)26(25)31-32(19(2)3,20(4)5)21(6)7/h9-17,19-21H,8,18H2,1-7H3.
What are the key properties of ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate?
ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate has a molecular weight of 451.68 g/mol, XLogP of 7.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate is sourced from PubChem (CID 10049503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).