ethyl 2-methoxyimino-5-methyl-4-oxohexanoate

C10H17NO4 — CID 86632548

IUPACethyl 2-methoxyimino-5-methyl-4-oxohexanoate
SMILESCCOC(=O)C(CC(=O)C(C)C)=NOC
InChIInChI=1S/C10H17NO4/c1-5-15-10(13)8(11-14-4)6-9(12)7(2)3/h7H,5-6H2,1-4H3
InChIKeyFBEJVAOCKUKKHM-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds6

About ethyl 2-methoxyimino-5-methyl-4-oxohexanoate

ethyl 2-methoxyimino-5-methyl-4-oxohexanoate (PubChem CID 86632548) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-methoxyimino-5-methyl-4-oxohexanoate.

Molecular Properties

Compound Nameethyl 2-methoxyimino-5-methyl-4-oxohexanoate
PubChem CID86632548
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-methoxyimino-5-methyl-4-oxohexanoate
SMILESCCOC(=O)C(CC(=O)C(C)C)=NOC
InChIInChI=1S/C10H17NO4/c1-5-15-10(13)8(11-14-4)6-9(12)7(2)3/h7H,5-6H2,1-4H3
InChIKeyFBEJVAOCKUKKHM-UHFFFAOYSA-N
XLogP1.17
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
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-5,5-dimethyl-4-oxohexanoate
CID 76750210
ethyl (2Z,4Z)-2,4-bis(methoxyimino)octanoate
CID 19783213
ethyl 2-methoxyimino-4-oxobutanoate
CID 87332904
(3-ethoxy-2-methoxyimino-3-oxopropyl)-triphenylphosphanium
CID 53396364
ethyl 6-methyl-3,5-dioxoheptanoate
CID 162481991
ethyl (2E)-3-amino-2-methoxyimino-3-oxopropanoate
CID 14075610
dimethyl (2E)-2-methoxyiminobutanedioate
CID 5365394
ethyl (2E)-2-hydroxyimino-3-methylbutanoate
CID 11094910
1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
1-O-ethyl 6-O-methyl 3-methyl-2,4-dioxohexanedioate
CID 101372700
dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate
CID 23239497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxyimino-5-methyl-4-oxohexanoate?
The IUPAC name of ethyl 2-methoxyimino-5-methyl-4-oxohexanoate (CID 86632548) is ethyl 2-methoxyimino-5-methyl-4-oxohexanoate.
What is the SMILES notation for ethyl 2-methoxyimino-5-methyl-4-oxohexanoate?
The canonical SMILES for ethyl 2-methoxyimino-5-methyl-4-oxohexanoate is CCOC(=O)C(CC(=O)C(C)C)=NOC.
What is the InChIKey of ethyl 2-methoxyimino-5-methyl-4-oxohexanoate?
The InChIKey is FBEJVAOCKUKKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-15-10(13)8(11-14-4)6-9(12)7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 2-methoxyimino-5-methyl-4-oxohexanoate?
ethyl 2-methoxyimino-5-methyl-4-oxohexanoate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxyimino-5-methyl-4-oxohexanoate is sourced from PubChem (CID 86632548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).