[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate

C13H27NO3Si — CID 91752573

IUPAC[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate
SMILESCCC(C)/C(=N\OC)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO3Si/c1-9-10(2)11(14-16-6)12(15)17-18(7,8)13(3,4)5/h10H,9H2,1-8H3/b14-11+
InChIKeyPDRXIEHYKBTUOD-SDNWHVSQSA-N
MW273.45 g/mol
LogP3.58
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate

[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate (PubChem CID 91752573) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate
PubChem CID91752573
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Name[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate
SMILESCCC(C)/C(=N\OC)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO3Si/c1-9-10(2)11(14-16-6)12(15)17-18(7,8)13(3,4)5/h10H,9H2,1-8H3/b14-11+
InChIKeyPDRXIEHYKBTUOD-SDNWHVSQSA-N
XLogP3.58
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.58
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

[tert-butyl(dimethyl)silyl] propan-2-yl carbonate
CID 155712738
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
CID 156683675
[tert-butyl(dimethyl)silyl] 2-oxooctanoate
CID 91696537
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
[tert-butyl(dimethyl)silyl] 2-bis[[tert-butyl(dimethyl)silyl]oxy]phosphorylbutanoate
CID 91745490
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694129
[tert-butyl(dimethyl)silyl] 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 91694127

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate (CID 91752573) is [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate is CCC(C)/C(=N\OC)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate?
The InChIKey is PDRXIEHYKBTUOD-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-9-10(2)11(14-16-6)12(15)17-18(7,8)13(3,4)5/h10H,9H2,1-8H3/b14-11+.
What are the key properties of [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate?
[tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate has a molecular weight of 273.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (2E)-2-methoxyimino-3-methylpentanoate is sourced from PubChem (CID 91752573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).