trimethylsilyl 2-phenylmethoxyiminooctanoate

C18H29NO3Si — CID 561576

IUPACtrimethylsilyl 2-phenylmethoxyiminooctanoate
SMILESCCCCCCC(=NOCc1ccccc1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H29NO3Si/c1-5-6-7-11-14-17(18(20)22-23(2,3)4)19-21-15-16-12-9-8-10-13-16/h8-10,12-13H,5-7,11,14-15H2,1-4H3
InChIKeyWGSGVNVLMPKQDW-UHFFFAOYSA-N
MW335.52 g/mol
LogP4.91
Rot. Bonds10

About trimethylsilyl 2-phenylmethoxyiminooctanoate

trimethylsilyl 2-phenylmethoxyiminooctanoate (PubChem CID 561576) has the molecular formula C18H29NO3Si and a molecular weight of 335.52 g/mol. Its IUPAC name is trimethylsilyl 2-phenylmethoxyiminooctanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-phenylmethoxyiminooctanoate
PubChem CID561576
Molecular FormulaC18H29NO3Si
Molecular Weight335.52 g/mol
Exact Mass335.19
IUPAC Nametrimethylsilyl 2-phenylmethoxyiminooctanoate
SMILESCCCCCCC(=NOCc1ccccc1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H29NO3Si/c1-5-6-7-11-14-17(18(20)22-23(2,3)4)19-21-15-16-12-9-8-10-13-16/h8-10,12-13H,5-7,11,14-15H2,1-4H3
InChIKeyWGSGVNVLMPKQDW-UHFFFAOYSA-N
XLogP4.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2Z)-2-phenylmethoxyiminopentanoate
CID 5368306
(2Z)-2-phenylmethoxyimino-1-(4-phenylsulfanylphenyl)octan-1-one
CID 172847601
(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
benzyl 2-oxodecanoate
CID 18370296
benzyl heptadecanoate
CID 522569
trimethylsilyl (4Z,6E)-4,6-bis(phenylmethoxyimino)heptanoate
CID 91699647
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
benzyl acetate;dodecane
CID 138609592
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
2-hydroxy-3-phenylmethoxyhenicosan-4-one
CID 67839705
S-benzyl dodecanethioate;S-benzyl tetradecanethioate
CID 161441582
N-phenylmethoxyhexanamide
CID 60717350

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-phenylmethoxyiminooctanoate?
The IUPAC name of trimethylsilyl 2-phenylmethoxyiminooctanoate (CID 561576) is trimethylsilyl 2-phenylmethoxyiminooctanoate.
What is the SMILES notation for trimethylsilyl 2-phenylmethoxyiminooctanoate?
The canonical SMILES for trimethylsilyl 2-phenylmethoxyiminooctanoate is CCCCCCC(=NOCc1ccccc1)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-phenylmethoxyiminooctanoate?
The InChIKey is WGSGVNVLMPKQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3Si/c1-5-6-7-11-14-17(18(20)22-23(2,3)4)19-21-15-16-12-9-8-10-13-16/h8-10,12-13H,5-7,11,14-15H2,1-4H3.
What are the key properties of trimethylsilyl 2-phenylmethoxyiminooctanoate?
trimethylsilyl 2-phenylmethoxyiminooctanoate has a molecular weight of 335.52 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-phenylmethoxyiminooctanoate is sourced from PubChem (CID 561576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).