(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide

C30H37NO2Si — CID 10552370

IUPAC(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide
SMILESC=CCCC[C@H](/C=[N+](\[O-])Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H37NO2Si/c1-5-6-10-19-27(25-31(32)24-26-17-11-7-12-18-26)33-34(30(2,3)4,28-20-13-8-14-21-28)29-22-15-9-16-23-29/h5,7-9,11-18,20-23,25,27H,1,6,10,19,24H2,2-4H3/b31-25-/t27-/m1/s1
InChIKeyONEBHXCETVNYLG-UTQMPFBMSA-N
MW471.72 g/mol
LogP6.07
Rot. Bonds11

About (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide

(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide (PubChem CID 10552370) has the molecular formula C30H37NO2Si and a molecular weight of 471.72 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide
PubChem CID10552370
Molecular FormulaC30H37NO2Si
Molecular Weight471.72 g/mol
Exact Mass471.26
IUPAC Name(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide
SMILESC=CCCC[C@H](/C=[N+](\[O-])Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H37NO2Si/c1-5-6-10-19-27(25-31(32)24-26-17-11-7-12-18-26)33-34(30(2,3)4,28-20-13-8-14-21-28)29-22-15-9-16-23-29/h5,7-9,11-18,20-23,25,27H,1,6,10,19,24H2,2-4H3/b31-25-/t27-/m1/s1
InChIKeyONEBHXCETVNYLG-UTQMPFBMSA-N
XLogP6.07
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.72
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide?
The IUPAC name of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide (CID 10552370) is (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide.
What is the SMILES notation for (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide?
The canonical SMILES for (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide is C=CCCC[C@H](/C=[N+](\[O-])Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide?
The InChIKey is ONEBHXCETVNYLG-UTQMPFBMSA-N. The full InChI is InChI=1S/C30H37NO2Si/c1-5-6-10-19-27(25-31(32)24-26-17-11-7-12-18-26)33-34(30(2,3)4,28-20-13-8-14-21-28)29-22-15-9-16-23-29/h5,7-9,11-18,20-23,25,27H,1,6,10,19,24H2,2-4H3/b31-25-/t27-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide?
(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide has a molecular weight of 471.72 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxyhept-6-en-1-imine oxide is sourced from PubChem (CID 10552370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).