tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

C23H36N2O3Si — CID 127262624

IUPACtert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCc2c(C#N)cccc21
InChIInChI=1S/C23H36N2O3Si/c1-22(2,3)28-21(26)25(14-15-27-29(7,8)23(4,5)6)20-13-12-18-17(16-24)10-9-11-19(18)20/h9-11,20H,12-15H2,1-8H3/t20-/m0/s1
InChIKeyYKLSSMFSVFVQFT-FQEVSTJZSA-N
MW416.64 g/mol
LogP5.80
Rot. Bonds5

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 127262624) has the molecular formula C23H36N2O3Si and a molecular weight of 416.64 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID127262624
Molecular FormulaC23H36N2O3Si
Molecular Weight416.64 g/mol
Exact Mass416.25
IUPAC Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCc2c(C#N)cccc21
InChIInChI=1S/C23H36N2O3Si/c1-22(2,3)28-21(26)25(14-15-27-29(7,8)23(4,5)6)20-13-12-18-17(16-24)10-9-11-19(18)20/h9-11,20H,12-15H2,1-8H3/t20-/m0/s1
InChIKeyYKLSSMFSVFVQFT-FQEVSTJZSA-N
XLogP5.80
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.64
LogP ≤ 55.80
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 tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate (CID 127262624) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCc2c(C#N)cccc21.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is YKLSSMFSVFVQFT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H36N2O3Si/c1-22(2,3)28-21(26)25(14-15-27-29(7,8)23(4,5)6)20-13-12-18-17(16-24)10-9-11-19(18)20/h9-11,20H,12-15H2,1-8H3/t20-/m0/s1.
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 416.64 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 127262624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).