tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate

C23H39NO4Si — CID 10740880

IUPACtert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H]1CO[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NO4Si/c1-22(2,3)28-21(25)24(16-18-12-10-9-11-13-18)19-17-26-20(19)14-15-27-29(7,8)23(4,5)6/h9-13,19-20H,14-17H2,1-8H3/t19-,20-/m1/s1
InChIKeyDKPKYWNQNUQRCB-WOJBJXKFSA-N
MW421.65 g/mol
LogP5.60
Rot. Bonds7

About tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate

tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate (PubChem CID 10740880) has the molecular formula C23H39NO4Si and a molecular weight of 421.65 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate
PubChem CID10740880
Molecular FormulaC23H39NO4Si
Molecular Weight421.65 g/mol
Exact Mass421.26
IUPAC Nametert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H]1CO[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NO4Si/c1-22(2,3)28-21(25)24(16-18-12-10-9-11-13-18)19-17-26-20(19)14-15-27-29(7,8)23(4,5)6/h9-13,19-20H,14-17H2,1-8H3/t19-,20-/m1/s1
InChIKeyDKPKYWNQNUQRCB-WOJBJXKFSA-N
XLogP5.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.65
LogP ≤ 55.60
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

(4R)-tert-butyl 4-(tert-butyldimethylsilyloxy)-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
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tert-butyl N-benzyl-N-[(2R,3R)-2-propyloxetan-3-yl]carbamate
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tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylaziridine-1-carboxylate
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tert-butyl(2S,4S)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-phenylpyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate (CID 10740880) is tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H]1CO[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate?
The InChIKey is DKPKYWNQNUQRCB-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H39NO4Si/c1-22(2,3)28-21(25)24(16-18-12-10-9-11-13-18)19-17-26-20(19)14-15-27-29(7,8)23(4,5)6/h9-13,19-20H,14-17H2,1-8H3/t19-,20-/m1/s1.
What are the key properties of tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate?
tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate has a molecular weight of 421.65 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxetan-3-yl]carbamate is sourced from PubChem (CID 10740880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).