(5E)-5-trimethylsilyloxyiminohexan-2-one

C9H19NO2Si — CID 88532196

IUPAC(5E)-5-trimethylsilyloxyiminohexan-2-one
SMILESCC(=O)CC/C(C)=N/O[Si](C)(C)C
InChIInChI=1S/C9H19NO2Si/c1-8(6-7-9(2)11)10-12-13(3,4)5/h6-7H2,1-5H3/b10-8+
InChIKeyAYKTWENXVKXIFI-CSKARUKUSA-N
MW201.34 g/mol
LogP2.58
Rot. Bonds5

About (5E)-5-trimethylsilyloxyiminohexan-2-one

(5E)-5-trimethylsilyloxyiminohexan-2-one (PubChem CID 88532196) has the molecular formula C9H19NO2Si and a molecular weight of 201.34 g/mol. Its IUPAC name is (5E)-5-trimethylsilyloxyiminohexan-2-one.

Molecular Properties

Compound Name(5E)-5-trimethylsilyloxyiminohexan-2-one
PubChem CID88532196
Molecular FormulaC9H19NO2Si
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Name(5E)-5-trimethylsilyloxyiminohexan-2-one
SMILESCC(=O)CC/C(C)=N/O[Si](C)(C)C
InChIInChI=1S/C9H19NO2Si/c1-8(6-7-9(2)11)10-12-13(3,4)5/h6-7H2,1-5H3/b10-8+
InChIKeyAYKTWENXVKXIFI-CSKARUKUSA-N
XLogP2.58
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 52.58
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'}

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Related Compounds

4,6-bis(trimethylsilyloxyimino)heptan-2-one
CID 173378642
trimethylsilyl (7E)-7-trimethylsilyloxyiminooctanoate
CID 5372781
hexane-2,5-dione
CID 8035
3-trimethylsilyloxyiminobutanenitrile
CID 140887440
N-trimethylsilyloxypropan-2-imine
CID 14115311
N-(5-oxohexan-2-ylidene)formamide
CID 129015629
(1Z)-N-trimethylsilyloxyethanimidoyl chloride
CID 119096801
bis(trimethylsilyl) (2E)-2-trimethylsilyloxyiminopentanedioate
CID 5352677
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305
trimethylsilyl (2E)-2-trimethylsilyloxyiminohexanoate
CID 5463671
bis(trimethylsilyl) 2-trimethylsilyloxyiminohexanedioate
CID 528740
N,4-dioxopentanamide
CID 87531074

Frequently Asked Questions

What is the IUPAC name of (5E)-5-trimethylsilyloxyiminohexan-2-one?
The IUPAC name of (5E)-5-trimethylsilyloxyiminohexan-2-one (CID 88532196) is (5E)-5-trimethylsilyloxyiminohexan-2-one.
What is the SMILES notation for (5E)-5-trimethylsilyloxyiminohexan-2-one?
The canonical SMILES for (5E)-5-trimethylsilyloxyiminohexan-2-one is CC(=O)CC/C(C)=N/O[Si](C)(C)C.
What is the InChIKey of (5E)-5-trimethylsilyloxyiminohexan-2-one?
The InChIKey is AYKTWENXVKXIFI-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19NO2Si/c1-8(6-7-9(2)11)10-12-13(3,4)5/h6-7H2,1-5H3/b10-8+.
What are the key properties of (5E)-5-trimethylsilyloxyiminohexan-2-one?
(5E)-5-trimethylsilyloxyiminohexan-2-one has a molecular weight of 201.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-trimethylsilyloxyiminohexan-2-one is sourced from PubChem (CID 88532196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).