tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate

C20H33NO3Si — CID 134972074

IUPACtert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO[Si](C)(C)C(C)(C)C)c2ccccc21
InChIInChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-13-15(16-11-9-10-12-17(16)21)14-23-25(7,8)20(4,5)6/h9-12,15H,13-14H2,1-8H3
InChIKeyXPQSFLAYUGJZRV-UHFFFAOYSA-N
MW363.57 g/mol
LogP5.55
Rot. Bonds3

About tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate

tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 134972074) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
PubChem CID134972074
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Nametert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO[Si](C)(C)C(C)(C)C)c2ccccc21
InChIInChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-13-15(16-11-9-10-12-17(16)21)14-23-25(7,8)20(4,5)6/h9-12,15H,13-14H2,1-8H3
InChIKeyXPQSFLAYUGJZRV-UHFFFAOYSA-N
XLogP5.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.57
LogP ≤ 55.55
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

tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl (3R)-3-(3-hydroxypropyl)-2,3-dihydroindole-1-carboxylate
CID 155903983
tert-butyl 3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 11741009
tert-butyl 3-(2-methoxyprop-2-enyl)-2,3-dihydroindole-1-carboxylate
CID 89073245
tert-butyl (3S)-3-(3-methoxy-3-oxopropyl)-2,3-dihydroindole-1-carboxylate
CID 102513493
tert-butyl 3-hexyl-2,3-dihydroindole-1-carboxylate
CID 171661748
tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate
CID 58274799
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylidene-2-oxopyrrolidine-1-carboxylate
CID 164561704
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl (3S,4S)-3-hydroxy-4-[methyl(prop-2-ynyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 122154671
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 67633255

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate (CID 134972074) is tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CC(CO[Si](C)(C)C(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is XPQSFLAYUGJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-13-15(16-11-9-10-12-17(16)21)14-23-25(7,8)20(4,5)6/h9-12,15H,13-14H2,1-8H3.
What are the key properties of tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate?
tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 363.57 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 134972074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).