(2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide

C17H29NO2Si — CID 154478749

IUPAC(2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide
SMILESC[C@@H](C(O[SiH3])=[N+]([O-])Cc1ccccc1)C(C)(C)C(C)(C)C
InChIInChI=1S/C17H29NO2Si/c1-13(17(5,6)16(2,3)4)15(20-21)18(19)12-14-10-8-7-9-11-14/h7-11,13H,12H2,1-6,21H3/t13-/m0/s1
InChIKeyVLVBPNCDNCGAHD-ZDUSSCGKSA-N
MW307.51 g/mol
LogP3.10
Rot. Bonds4

About (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide

(2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide (PubChem CID 154478749) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide.

Molecular Properties

Compound Name(2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide
PubChem CID154478749
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name(2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide
SMILESC[C@@H](C(O[SiH3])=[N+]([O-])Cc1ccccc1)C(C)(C)C(C)(C)C
InChIInChI=1S/C17H29NO2Si/c1-13(17(5,6)16(2,3)4)15(20-21)18(19)12-14-10-8-7-9-11-14/h7-11,13H,12H2,1-6,21H3/t13-/m0/s1
InChIKeyVLVBPNCDNCGAHD-ZDUSSCGKSA-N
XLogP3.10
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 85132438
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CID 54223968
methanol;nitromethylbenzene
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1,1-dinitroethane;nitromethylbenzene
CID 88650316
(2S)-N-benzyl-2-(dibenzylamino)propan-1-imine oxide
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[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
silyl 2,2-dibenzyl-3-phenylpropanoate
CID 173057959
(2S)-N-benzyl-2-formamidopropan-1-imine oxide
CID 177384432
(E,7R)-N-benzyl-7-hydroxyoct-5-en-1-imine oxide
CID 11064738
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide?
The IUPAC name of (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide (CID 154478749) is (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide.
What is the SMILES notation for (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide?
The canonical SMILES for (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide is C[C@@H](C(O[SiH3])=[N+]([O-])Cc1ccccc1)C(C)(C)C(C)(C)C.
What is the InChIKey of (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide?
The InChIKey is VLVBPNCDNCGAHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-13(17(5,6)16(2,3)4)15(20-21)18(19)12-14-10-8-7-9-11-14/h7-11,13H,12H2,1-6,21H3/t13-/m0/s1.
What are the key properties of (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide?
(2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide has a molecular weight of 307.51 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2,3,3,4,4-pentamethyl-1-silyloxypentan-1-imine oxide is sourced from PubChem (CID 154478749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).