methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate

C18H28BrNO3Si — CID 166004819

IUPACmethyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1cc(Br)c2c(c1)CCN2CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28BrNO3Si/c1-18(2,3)24(5,6)23-10-9-20-8-7-13-11-14(17(21)22-4)12-15(19)16(13)20/h11-12H,7-10H2,1-6H3
InChIKeyHUDDWFKXOUHXAZ-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.62
Rot. Bonds5

About methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate

methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 166004819) has the molecular formula C18H28BrNO3Si and a molecular weight of 414.42 g/mol. Its IUPAC name is methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate
PubChem CID166004819
Molecular FormulaC18H28BrNO3Si
Molecular Weight414.42 g/mol
Exact Mass413.10
IUPAC Namemethyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1cc(Br)c2c(c1)CCN2CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28BrNO3Si/c1-18(2,3)24(5,6)23-10-9-20-8-7-13-11-14(17(21)22-4)12-15(19)16(13)20/h11-12H,7-10H2,1-6H3
InChIKeyHUDDWFKXOUHXAZ-UHFFFAOYSA-N
XLogP4.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate (CID 166004819) is methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1cc(Br)c2c(c1)CCN2CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is HUDDWFKXOUHXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO3Si/c1-18(2,3)24(5,6)23-10-9-20-8-7-13-11-14(17(21)22-4)12-15(19)16(13)20/h11-12H,7-10H2,1-6H3.
What are the key properties of methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate?
methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 414.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 166004819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).