(2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide

C20H33NO4Si — CID 134833763

IUPAC(2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide
SMILESCC1(C)OC[C@@H]([C@H](/C=[N+](/[O-])Cc2ccccc2)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H33NO4Si/c1-19(2,3)26(6,7)25-17(18-15-23-20(4,5)24-18)14-21(22)13-16-11-9-8-10-12-16/h8-12,14,17-18H,13,15H2,1-7H3/b21-14+/t17-,18-/m0/s1
InChIKeyDAZXBDSSOQCLDJ-VLRJIAOHSA-N
MW379.57 g/mol
LogP4.31
Rot. Bonds6

About (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide

(2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide (PubChem CID 134833763) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide
PubChem CID134833763
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Name(2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide
SMILESCC1(C)OC[C@@H]([C@H](/C=[N+](/[O-])Cc2ccccc2)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H33NO4Si/c1-19(2,3)26(6,7)25-17(18-15-23-20(4,5)24-18)14-21(22)13-16-11-9-8-10-12-16/h8-12,14,17-18H,13,15H2,1-7H3/b21-14+/t17-,18-/m0/s1
InChIKeyDAZXBDSSOQCLDJ-VLRJIAOHSA-N
XLogP4.31
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide?
The IUPAC name of (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide (CID 134833763) is (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide.
What is the SMILES notation for (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide?
The canonical SMILES for (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide is CC1(C)OC[C@@H]([C@H](/C=[N+](/[O-])Cc2ccccc2)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide?
The InChIKey is DAZXBDSSOQCLDJ-VLRJIAOHSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-19(2,3)26(6,7)25-17(18-15-23-20(4,5)24-18)14-21(22)13-16-11-9-8-10-12-16/h8-12,14,17-18H,13,15H2,1-7H3/b21-14+/t17-,18-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide?
(2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide has a molecular weight of 379.57 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanimine oxide is sourced from PubChem (CID 134833763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).