trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate

C9H19NO3Si — CID 5366487

IUPACtrimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate
SMILESCO/N=C(\C(=O)O[Si](C)(C)C)C(C)C
InChIInChI=1S/C9H19NO3Si/c1-7(2)8(10-12-3)9(11)13-14(4,5)6/h7H,1-6H3/b10-8-
InChIKeyCALQXVJPGUTRRJ-NTMALXAHSA-N
MW217.34 g/mol
LogP2.02
Rot. Bonds4

About trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate

trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate (PubChem CID 5366487) has the molecular formula C9H19NO3Si and a molecular weight of 217.34 g/mol. Its IUPAC name is trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate.

Molecular Properties

Compound Nametrimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate
PubChem CID5366487
Molecular FormulaC9H19NO3Si
Molecular Weight217.34 g/mol
Exact Mass217.11
IUPAC Nametrimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate
SMILESCO/N=C(\C(=O)O[Si](C)(C)C)C(C)C
InChIInChI=1S/C9H19NO3Si/c1-7(2)8(10-12-3)9(11)13-14(4,5)6/h7H,1-6H3/b10-8-
InChIKeyCALQXVJPGUTRRJ-NTMALXAHSA-N
XLogP2.02
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 52.02
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

(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
CID 156683675
[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate
CID 91752573
trimethylsilyl (2Z)-2-methoxyiminopentanoate
CID 5366686
trimethylsilyl 2-oxopropanoate
CID 554459
bis(trimethylsilyl) 2,3-dihydroxy-2,3-di(propan-2-yl)butanedioate
CID 87375893
ethyl 2-methoxyimino-5-methyl-4-oxohexanoate
CID 86632548
trimethylsilyl (Z)-2-methyl-3-trimethylsilyloxybut-2-enoate
CID 5352679
trimethylsilyl 2-ethoxyimino-2-(4-trimethylsilyloxyphenyl)acetate
CID 91749481
bis(trimethylsilyl) (2E)-2-trimethylsilyloxyiminopentanedioate
CID 5352677
tris(trimethylsilyl) propane-1,1,2-tricarboxylate
CID 553637
trimethylsilyl 2-methoxy-2-methylpropanoate
CID 88550853
(4E)-4-hydroxyimino-2,5-dimethylhexan-3-one
CID 13405421

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate?
The IUPAC name of trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate (CID 5366487) is trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate.
What is the SMILES notation for trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate?
The canonical SMILES for trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate is CO/N=C(\C(=O)O[Si](C)(C)C)C(C)C.
What is the InChIKey of trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate?
The InChIKey is CALQXVJPGUTRRJ-NTMALXAHSA-N. The full InChI is InChI=1S/C9H19NO3Si/c1-7(2)8(10-12-3)9(11)13-14(4,5)6/h7H,1-6H3/b10-8-.
What are the key properties of trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate?
trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate has a molecular weight of 217.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2Z)-2-methoxyimino-3-methylbutanoate is sourced from PubChem (CID 5366487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).