diethyl 2-(methoxymethoxyimino)propanedioate

C9H15NO6 — CID 542149

IUPACdiethyl 2-(methoxymethoxyimino)propanedioate
SMILESCCOC(=O)C(=NOCOC)C(=O)OCC
InChIInChI=1S/C9H15NO6/c1-4-14-8(11)7(9(12)15-5-2)10-16-6-13-3/h4-6H2,1-3H3
InChIKeyONQVYXAXWCEGHN-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.09
Rot. Bonds7

About diethyl 2-(methoxymethoxyimino)propanedioate

diethyl 2-(methoxymethoxyimino)propanedioate (PubChem CID 542149) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is diethyl 2-(methoxymethoxyimino)propanedioate.

Molecular Properties

Compound Namediethyl 2-(methoxymethoxyimino)propanedioate
PubChem CID542149
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Namediethyl 2-(methoxymethoxyimino)propanedioate
SMILESCCOC(=O)C(=NOCOC)C(=O)OCC
InChIInChI=1S/C9H15NO6/c1-4-14-8(11)7(9(12)15-5-2)10-16-6-13-3/h4-6H2,1-3H3
InChIKeyONQVYXAXWCEGHN-UHFFFAOYSA-N
XLogP0.09
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

Diethyl (hydroxyimino)malonate
CID 6399380
Propanedioic acid, (methoxyimino)-, dimethyl ester
CID 547934
Diethyl 2-(methoxyimino)malonate
CID 533643
Dimethyl 2-(2-fluoroethoxyimino)propanedioate
CID 21746223
Propanedioic acid, (ethoxyimino)-, dimethyl ester
CID 582108
Propanedioic acid, (methoxyimino)-, ethyl methyl ester, (Z)-
CID 533617
Dimethyl (ethoxy-carbonylmethoxyimino)malonate
CID 12592311
dimethyl mesoxalate O-methoxycarbonyloxime
CID 13230194
Bis[bis(ethoxycarbonyl)methyleneaminooxy]-methane
CID 23248620
1,3-diethoxy-N-methyl-1,3-dioxopropan-2-imine oxide
CID 535487
Propanedioic acid, (ethoxyimino)-, diethyl ester
CID 583575
Bis-(ethoxycarbonyl)isopropoxyiminomethane
CID 583590

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(methoxymethoxyimino)propanedioate?
The IUPAC name of diethyl 2-(methoxymethoxyimino)propanedioate (CID 542149) is diethyl 2-(methoxymethoxyimino)propanedioate.
What is the SMILES notation for diethyl 2-(methoxymethoxyimino)propanedioate?
The canonical SMILES for diethyl 2-(methoxymethoxyimino)propanedioate is CCOC(=O)C(=NOCOC)C(=O)OCC.
What is the InChIKey of diethyl 2-(methoxymethoxyimino)propanedioate?
The InChIKey is ONQVYXAXWCEGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-4-14-8(11)7(9(12)15-5-2)10-16-6-13-3/h4-6H2,1-3H3.
What are the key properties of diethyl 2-(methoxymethoxyimino)propanedioate?
diethyl 2-(methoxymethoxyimino)propanedioate has a molecular weight of 233.22 g/mol, XLogP of 0.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(methoxymethoxyimino)propanedioate is sourced from PubChem (CID 542149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).