(E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine

C26H53NOSi — CID 91751671

IUPAC(E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine
SMILESC/C(=C\C=N\O[Si](C)(C)C(C)(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C26H53NOSi/c1-22(2)14-11-15-23(3)16-12-17-24(4)18-13-19-25(5)20-21-27-28-29(9,10)26(6,7)8/h20-24H,11-19H2,1-10H3/b25-20+,27-21+
InChIKeyMOBOBCCDGDMJAQ-HPIQBAMUSA-N
MW423.80 g/mol
LogP9.38
Rot. Bonds15

About (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine

(E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine (PubChem CID 91751671) has the molecular formula C26H53NOSi and a molecular weight of 423.80 g/mol. Its IUPAC name is (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine
PubChem CID91751671
Molecular FormulaC26H53NOSi
Molecular Weight423.80 g/mol
Exact Mass423.39
IUPAC Name(E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine
SMILESC/C(=C\C=N\O[Si](C)(C)C(C)(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C26H53NOSi/c1-22(2)14-11-15-23(3)16-12-17-24(4)18-13-19-25(5)20-21-27-28-29(9,10)26(6,7)8/h20-24H,11-19H2,1-10H3/b25-20+,27-21+
InChIKeyMOBOBCCDGDMJAQ-HPIQBAMUSA-N
XLogP9.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.80
LogP ≤ 59.38
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine?
The IUPAC name of (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine (CID 91751671) is (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine.
What is the SMILES notation for (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine?
The canonical SMILES for (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine is C/C(=C\C=N\O[Si](C)(C)C(C)(C)C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine?
The InChIKey is MOBOBCCDGDMJAQ-HPIQBAMUSA-N. The full InChI is InChI=1S/C26H53NOSi/c1-22(2)14-11-15-23(3)16-12-17-24(4)18-13-19-25(5)20-21-27-28-29(9,10)26(6,7)8/h20-24H,11-19H2,1-10H3/b25-20+,27-21+.
What are the key properties of (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine?
(E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine has a molecular weight of 423.80 g/mol, XLogP of 9.38, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-[tert-butyl(dimethyl)silyl]oxy-3,7,11,15-tetramethylhexadec-2-en-1-imine is sourced from PubChem (CID 91751671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).