(5E)-5-triphenylsilyloxyiminohexan-3-one

C24H25NO2Si — CID 88531904

IUPAC(5E)-5-triphenylsilyloxyiminohexan-3-one
SMILESCCC(=O)C/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2Si/c1-3-21(26)19-20(2)25-27-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18H,3,19H2,1-2H3/b25-20+
InChIKeyUIGUKRCLAIXAIW-LKUDQCMESA-N
MW387.56 g/mol
LogP3.42
Rot. Bonds8

About (5E)-5-triphenylsilyloxyiminohexan-3-one

(5E)-5-triphenylsilyloxyiminohexan-3-one (PubChem CID 88531904) has the molecular formula C24H25NO2Si and a molecular weight of 387.56 g/mol. Its IUPAC name is (5E)-5-triphenylsilyloxyiminohexan-3-one.

Molecular Properties

Compound Name(5E)-5-triphenylsilyloxyiminohexan-3-one
PubChem CID88531904
Molecular FormulaC24H25NO2Si
Molecular Weight387.56 g/mol
Exact Mass387.17
IUPAC Name(5E)-5-triphenylsilyloxyiminohexan-3-one
SMILESCCC(=O)C/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2Si/c1-3-21(26)19-20(2)25-27-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18H,3,19H2,1-2H3/b25-20+
InChIKeyUIGUKRCLAIXAIW-LKUDQCMESA-N
XLogP3.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(E)-N-triphenylsilyloxybutan-2-imine
CID 87078861
(4-oxohexan-2-ylideneamino) benzenesulfonate
CID 173378651
1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
CID 87327816
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 154048216
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 87328834
2-propyl-5-triphenylsilyloxyiminohexanenitrile
CID 140887488
triphenylsilyl nitrite
CID 87559816
1-phenyl-2-N,4-N-bis(trimethylsilyloxy)pentane-2,4-diimine
CID 87328481
1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine
CID 154048211
1-triphenylsilyloxypentan-2-one
CID 18622623
2,3-dimethyl-1,4-dihydronaphthalene;5-methyliminohexan-3-one
CID 91126999
5-methyl-6-phenylhex-5-en-3-one
CID 71411119

Frequently Asked Questions

What is the IUPAC name of (5E)-5-triphenylsilyloxyiminohexan-3-one?
The IUPAC name of (5E)-5-triphenylsilyloxyiminohexan-3-one (CID 88531904) is (5E)-5-triphenylsilyloxyiminohexan-3-one.
What is the SMILES notation for (5E)-5-triphenylsilyloxyiminohexan-3-one?
The canonical SMILES for (5E)-5-triphenylsilyloxyiminohexan-3-one is CCC(=O)C/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5E)-5-triphenylsilyloxyiminohexan-3-one?
The InChIKey is UIGUKRCLAIXAIW-LKUDQCMESA-N. The full InChI is InChI=1S/C24H25NO2Si/c1-3-21(26)19-20(2)25-27-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18H,3,19H2,1-2H3/b25-20+.
What are the key properties of (5E)-5-triphenylsilyloxyiminohexan-3-one?
(5E)-5-triphenylsilyloxyiminohexan-3-one has a molecular weight of 387.56 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-triphenylsilyloxyiminohexan-3-one is sourced from PubChem (CID 88531904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).