(E)-N-triphenylsilyloxybutan-2-imine

C22H23NOSi — CID 87078861

IUPAC(E)-N-triphenylsilyloxybutan-2-imine
SMILESCC/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NOSi/c1-3-19(2)23-24-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3/b23-19+
InChIKeyIUPRPFKCGHZVPN-FCDQGJHFSA-N
MW345.52 g/mol
LogP3.46
Rot. Bonds6

About (E)-N-triphenylsilyloxybutan-2-imine

(E)-N-triphenylsilyloxybutan-2-imine (PubChem CID 87078861) has the molecular formula C22H23NOSi and a molecular weight of 345.52 g/mol. Its IUPAC name is (E)-N-triphenylsilyloxybutan-2-imine.

Molecular Properties

Compound Name(E)-N-triphenylsilyloxybutan-2-imine
PubChem CID87078861
Molecular FormulaC22H23NOSi
Molecular Weight345.52 g/mol
Exact Mass345.15
IUPAC Name(E)-N-triphenylsilyloxybutan-2-imine
SMILESCC/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NOSi/c1-3-19(2)23-24-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3/b23-19+
InChIKeyIUPRPFKCGHZVPN-FCDQGJHFSA-N
XLogP3.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.46
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-triphenylsilyloxybutan-2-imine?
The IUPAC name of (E)-N-triphenylsilyloxybutan-2-imine (CID 87078861) is (E)-N-triphenylsilyloxybutan-2-imine.
What is the SMILES notation for (E)-N-triphenylsilyloxybutan-2-imine?
The canonical SMILES for (E)-N-triphenylsilyloxybutan-2-imine is CC/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-triphenylsilyloxybutan-2-imine?
The InChIKey is IUPRPFKCGHZVPN-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H23NOSi/c1-3-19(2)23-24-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3/b23-19+.
What are the key properties of (E)-N-triphenylsilyloxybutan-2-imine?
(E)-N-triphenylsilyloxybutan-2-imine has a molecular weight of 345.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-triphenylsilyloxybutan-2-imine is sourced from PubChem (CID 87078861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).