trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate

C15H23NO3Si — CID 5368306

IUPACtrimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate
SMILESCCC/C(=N/OCc1ccccc1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H23NO3Si/c1-5-9-14(15(17)19-20(2,3)4)16-18-12-13-10-7-6-8-11-13/h6-8,10-11H,5,9,12H2,1-4H3/b16-14-
InChIKeyFYNXCWORNNTLEG-PEZBUJJGSA-N
MW293.44 g/mol
LogP3.74
Rot. Bonds7

About trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate

trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate (PubChem CID 5368306) has the molecular formula C15H23NO3Si and a molecular weight of 293.44 g/mol. Its IUPAC name is trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate.

Molecular Properties

Compound Nametrimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate
PubChem CID5368306
Molecular FormulaC15H23NO3Si
Molecular Weight293.44 g/mol
Exact Mass293.14
IUPAC Nametrimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate
SMILESCCC/C(=N/OCc1ccccc1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H23NO3Si/c1-5-9-14(15(17)19-20(2,3)4)16-18-12-13-10-7-6-8-11-13/h6-8,10-11H,5,9,12H2,1-4H3/b16-14-
InChIKeyFYNXCWORNNTLEG-PEZBUJJGSA-N
XLogP3.74
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

trimethylsilyl 2-phenylmethoxyiminooctanoate
CID 561576
trimethylsilyl (2Z)-2-methoxyiminopentanoate
CID 5366686
trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate
CID 91699647
(2Z)-2-phenylmethoxyimino-1-(4-phenylsulfanylphenyl)octan-1-one
CID 172847601
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
ethyl (E)-3-amino-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]but-2-enoate
CID 59166619
(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
methyl N-[(E)-C-ethyl-N-phenylmethoxycarbonimidoyl]carbamate
CID 135478845
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate?
The IUPAC name of trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate (CID 5368306) is trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate.
What is the SMILES notation for trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate?
The canonical SMILES for trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate is CCC/C(=N/OCc1ccccc1)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate?
The InChIKey is FYNXCWORNNTLEG-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H23NO3Si/c1-5-9-14(15(17)19-20(2,3)4)16-18-12-13-10-7-6-8-11-13/h6-8,10-11H,5,9,12H2,1-4H3/b16-14-.
What are the key properties of trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate?
trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate has a molecular weight of 293.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2Z)-2-phenylmethoxyiminopentanoate is sourced from PubChem (CID 5368306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).