methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate

C11H19NO4 — CID 143079623

IUPACmethyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate
SMILESCCC1(/C(=N/OC)C(=O)OC)CCOCC1
InChIInChI=1S/C11H19NO4/c1-4-11(5-7-16-8-6-11)9(12-15-3)10(13)14-2/h4-8H2,1-3H3/b12-9+
InChIKeyOGUSITOUGYZPNT-FMIVXFBMSA-N
MW229.28 g/mol
LogP1.37
Rot. Bonds4

About methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate

methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate (PubChem CID 143079623) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate
PubChem CID143079623
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate
SMILESCCC1(/C(=N/OC)C(=O)OC)CCOCC1
InChIInChI=1S/C11H19NO4/c1-4-11(5-7-16-8-6-11)9(12-15-3)10(13)14-2/h4-8H2,1-3H3/b12-9+
InChIKeyOGUSITOUGYZPNT-FMIVXFBMSA-N
XLogP1.37
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.37
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 (3E)-5-acetyloxy-3-methoxyimino-4,4-dimethylpentanoate
CID 164676556
Methyl 2-methoxyimino-2-(4-methyloxan-4-yl)acetate
CID 140078694
methyl 4-(N-methoxy-C-methylcarbonimidoyl)oxane-4-carboxylate
CID 140078774
Ethyl 2-methoxyimino-2-(oxan-4-yl)acetate
CID 140078858

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate?
The IUPAC name of methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate (CID 143079623) is methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate?
The canonical SMILES for methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate is CCC1(/C(=N/OC)C(=O)OC)CCOCC1.
What is the InChIKey of methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate?
The InChIKey is OGUSITOUGYZPNT-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-11(5-7-16-8-6-11)9(12-15-3)10(13)14-2/h4-8H2,1-3H3/b12-9+.
What are the key properties of methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate?
methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate has a molecular weight of 229.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(4-ethyloxan-4-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 143079623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).