(E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine

C32H41NOSi — CID 134870970

IUPAC(E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine
SMILESCCCCC/C=C/[C@H](/C=N/Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H41NOSi/c1-5-6-7-8-14-21-29(27-33-26-28-19-12-9-13-20-28)34-35(32(2,3)4,30-22-15-10-16-23-30)31-24-17-11-18-25-31/h9-25,27,29H,5-8,26H2,1-4H3/b21-14+,33-27+/t29-/m1/s1
InChIKeyGBSUMDLDJSEROU-WBBFCGGCSA-N
MW483.77 g/mol
LogP7.34
Rot. Bonds12

About (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine

(E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine (PubChem CID 134870970) has the molecular formula C32H41NOSi and a molecular weight of 483.77 g/mol. Its IUPAC name is (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine.

Molecular Properties

Compound Name(E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine
PubChem CID134870970
Molecular FormulaC32H41NOSi
Molecular Weight483.77 g/mol
Exact Mass483.30
IUPAC Name(E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine
SMILESCCCCC/C=C/[C@H](/C=N/Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H41NOSi/c1-5-6-7-8-14-21-29(27-33-26-28-19-12-9-13-20-28)34-35(32(2,3)4,30-22-15-10-16-23-30)31-24-17-11-18-25-31/h9-25,27,29H,5-8,26H2,1-4H3/b21-14+,33-27+/t29-/m1/s1
InChIKeyGBSUMDLDJSEROU-WBBFCGGCSA-N
XLogP7.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.77
LogP ≤ 57.34
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'}

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Related Compounds

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tert-butyl-diphenyl-tetradecan-2-yloxysilane
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tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
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N-[(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-enyl]hydroxylamine
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N-[(E,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 140525745
(3R,8S,9Z)-3-[tert-butyl(diphenyl)silyl]oxyheptadeca-1,9-dien-4,6-diyn-8-ol
CID 10553404
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-2-amine
CID 71619847
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid
CID 23117699
tert-butyl-[(6S,7E,9E,12E)-17-[tert-butyl(dimethyl)silyl]oxyheptadeca-7,9,12-trien-6-yl]oxy-diphenylsilane
CID 102494449

Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine?
The IUPAC name of (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine (CID 134870970) is (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine.
What is the SMILES notation for (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine?
The canonical SMILES for (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine is CCCCC/C=C/[C@H](/C=N/Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine?
The InChIKey is GBSUMDLDJSEROU-WBBFCGGCSA-N. The full InChI is InChI=1S/C32H41NOSi/c1-5-6-7-8-14-21-29(27-33-26-28-19-12-9-13-20-28)34-35(32(2,3)4,30-22-15-10-16-23-30)31-24-17-11-18-25-31/h9-25,27,29H,5-8,26H2,1-4H3/b21-14+,33-27+/t29-/m1/s1.
What are the key properties of (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine?
(E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine has a molecular weight of 483.77 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxynon-3-en-1-imine is sourced from PubChem (CID 134870970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).