ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate

C11H19NO4 — CID 76750210

IUPACethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
SMILESCCOC(=O)C(CC(=O)C(C)(C)C)=NOC
InChIInChI=1S/C11H19NO4/c1-6-16-10(14)8(12-15-5)7-9(13)11(2,3)4/h6-7H2,1-5H3
InChIKeyWHNOFCSPUFBREO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds5

About ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate

ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate (PubChem CID 76750210) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate.

Molecular Properties

Compound Nameethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
PubChem CID76750210
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
SMILESCCOC(=O)C(CC(=O)C(C)(C)C)=NOC
InChIInChI=1S/C11H19NO4/c1-6-16-10(14)8(12-15-5)7-9(13)11(2,3)4/h6-7H2,1-5H3
InChIKeyWHNOFCSPUFBREO-UHFFFAOYSA-N
XLogP1.56
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methoxyimino-5-methyl-4-oxohexanoate
CID 86632548
ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate
CID 19783213
ethyl 2-methoxyimino-4-oxobutanoate
CID 87332904
ethyl (2E)-2-methoxyimino-4-oxopentaneperoxoate
CID 118355618
ethyl 6,6-dimethyl-2,5-dioxoheptanoate
CID 159710088
ethyl (2E)-3-amino-2-methoxyimino-3-oxopropanoate
CID 14075610
ethyl (2E)-5,5-dimethyl-4-oxo-2-(4-phenylbutanoylhydrazinylidene)hexanoate
CID 171983096
(1-ethoxy-4,4-dimethyl-3-oxopentylidene)carbamic acid
CID 91425083
dimethyl (2E)-2-methoxyiminobutanedioate
CID 5365394
ethyl 2-methoxyimino-3-tritylsulfanylpropanoate
CID 118021802
ethyl 2-iodoimino-4-oxopentanoate
CID 163539508
(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium
CID 53396364

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate?
The IUPAC name of ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate (CID 76750210) is ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate.
What is the SMILES notation for ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate?
The canonical SMILES for ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate is CCOC(=O)C(CC(=O)C(C)(C)C)=NOC.
What is the InChIKey of ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate?
The InChIKey is WHNOFCSPUFBREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-16-10(14)8(12-15-5)7-9(13)11(2,3)4/h6-7H2,1-5H3.
What are the key properties of ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate?
ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate is sourced from PubChem (CID 76750210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).