tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide

C14H28NO3Si- — CID 163665765

IUPACtert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide
SMILES[H]/N=C(/C=C/[C@@H](C)O[SiH-](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28NO3Si/c1-8-17-13(16)12(15)10-9-11(2)18-19(6,7)14(3,4)5/h9-11,15,19H,8H2,1-7H3/q-1/b10-9+,15-12-/t11-/m1/s1
InChIKeyIYHULATUPGMHSB-HBPBPLKESA-N
MW286.47 g/mol
LogP3.27
Rot. Bonds6

About tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide

tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide (PubChem CID 163665765) has the molecular formula C14H28NO3Si- and a molecular weight of 286.47 g/mol. Its IUPAC name is tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide.

Molecular Properties

Compound Nametert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide
PubChem CID163665765
Molecular FormulaC14H28NO3Si-
Molecular Weight286.47 g/mol
Exact Mass286.18
IUPAC Nametert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide
SMILES[H]/N=C(/C=C/[C@@H](C)O[SiH-](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H28NO3Si/c1-8-17-13(16)12(15)10-9-11(2)18-19(6,7)14(3,4)5/h9-11,15,19H,8H2,1-7H3/q-1/b10-9+,15-12-/t11-/m1/s1
InChIKeyIYHULATUPGMHSB-HBPBPLKESA-N
XLogP3.27
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (3E)-3-hydroxyimino-2-iminopropanoate
CID 168935813
ethyl (Z)-4-amino-5,5,5-trifluoro-2-iminopent-3-enoate
CID 177007000
ethyl 2-imino-3,3-dimethylbutanoate
CID 134381367
ethyl 2-amino-2-iminoacetate
CID 19017716
ethyl 3-hydroxy-5-imino-4-methyl-2-oxopentanoate
CID 91114703
ethyl (2E)-3-methyl-2-(methylsulfanylmethylidene)butanoate
CID 15656485
ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate
CID 24976651
ethyl 2-imino-3-sulfanylpropanoate
CID 23182282
ethyl 2-methoxybut-2-enoate
CID 141457807
ethyl 3-fluoro-2-iminopentanoate
CID 175270794
[(E)-2-ethoxycarbonyl-3-imino-5-methylhex-1-enyl]-methylazanium
CID 144666629
ethyl 2-oxo(213C)propanoate
CID 71309469

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide?
The IUPAC name of tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide (CID 163665765) is tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide.
What is the SMILES notation for tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide?
The canonical SMILES for tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide is [H]/N=C(/C=C/[C@@H](C)O[SiH-](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide?
The InChIKey is IYHULATUPGMHSB-HBPBPLKESA-N. The full InChI is InChI=1S/C14H28NO3Si/c1-8-17-13(16)12(15)10-9-11(2)18-19(6,7)14(3,4)5/h9-11,15,19H,8H2,1-7H3/q-1/b10-9+,15-12-/t11-/m1/s1.
What are the key properties of tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide?
tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide has a molecular weight of 286.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R)-6-ethoxy-5-imino-6-oxohex-3-en-2-yl]oxy-dimethylsilanuide is sourced from PubChem (CID 163665765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).