tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate

C19H31NO3Si — CID 102062915

IUPACtert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate
SMILESCC1(C)CC(=O)c2c(C[Si](C)(C)C)cn(C(=O)OC(C)(C)C)c2C1
InChIInChI=1S/C19H31NO3Si/c1-18(2,3)23-17(22)20-11-13(12-24(6,7)8)16-14(20)9-19(4,5)10-15(16)21/h11H,9-10,12H2,1-8H3
InChIKeyDUEBUMCSMUIFSX-UHFFFAOYSA-N
MW349.55 g/mol
LogP4.85
Rot. Bonds2

About tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate

tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate (PubChem CID 102062915) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate
PubChem CID102062915
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Nametert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate
SMILESCC1(C)CC(=O)c2c(C[Si](C)(C)C)cn(C(=O)OC(C)(C)C)c2C1
InChIInChI=1S/C19H31NO3Si/c1-18(2,3)23-17(22)20-11-13(12-24(6,7)8)16-14(20)9-19(4,5)10-15(16)21/h11H,9-10,12H2,1-8H3
InChIKeyDUEBUMCSMUIFSX-UHFFFAOYSA-N
XLogP4.85
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 54.85
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

tert-butyl 2-bromo-6,6-dimethyl-4-oxo-5,7-dihydroindole-1-carboxylate
CID 118607276
tert-butyl 3-acetyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1-carboxylate
CID 20872399
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 11132071
tert-butyl 3-(aminomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 71748494
tert-butyl (4S)-2,2-dimethyl-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 97135096
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]indole-1-carboxylate
CID 56969706
tert-butyl 2-(1-hydroxy-2-trimethylsilylethyl)pyrrole-1-carboxylate
CID 53242898
tert-butyl 3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)indole-1-carboxylate
CID 165124460
tert-butyl 4,4-dimethyl-2-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 66662118
tert-butyl 5-chloro-3-ethylpyrrolo[3,2-b]pyridine-1-carboxylate
CID 123936275

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate (CID 102062915) is tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate is CC1(C)CC(=O)c2c(C[Si](C)(C)C)cn(C(=O)OC(C)(C)C)c2C1.
What is the InChIKey of tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate?
The InChIKey is DUEBUMCSMUIFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-18(2,3)23-17(22)20-11-13(12-24(6,7)8)16-14(20)9-19(4,5)10-15(16)21/h11H,9-10,12H2,1-8H3.
What are the key properties of tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate?
tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate has a molecular weight of 349.55 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate is sourced from PubChem (CID 102062915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).