methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate

C19H31NO3Si — CID 135063146

IUPACmethyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1c2ccccc2[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C19H31NO3Si/c1-14-15(12-13-23-24(6,7)19(2,3)4)16-10-8-9-11-17(16)20(14)18(21)22-5/h8-11,14-15H,12-13H2,1-7H3/t14-,15-/m1/s1
InChIKeyUBBDRQGWTKHOMN-HUUCEWRRSA-N
MW349.55 g/mol
LogP5.16
Rot. Bonds4

About methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate

methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate (PubChem CID 135063146) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate
PubChem CID135063146
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Namemethyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1c2ccccc2[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C19H31NO3Si/c1-14-15(12-13-23-24(6,7)19(2,3)4)16-10-8-9-11-17(16)20(14)18(21)22-5/h8-11,14-15H,12-13H2,1-7H3/t14-,15-/m1/s1
InChIKeyUBBDRQGWTKHOMN-HUUCEWRRSA-N
XLogP5.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.55
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate (CID 135063146) is methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate is COC(=O)N1c2ccccc2[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is UBBDRQGWTKHOMN-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-14-15(12-13-23-24(6,7)19(2,3)4)16-10-8-9-11-17(16)20(14)18(21)22-5/h8-11,14-15H,12-13H2,1-7H3/t14-,15-/m1/s1.
What are the key properties of methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate?
methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 349.55 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 135063146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).