dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate

C10H15NO7 — CID 23239497

IUPACdimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate
SMILESCCOC(=O)C(C)ON=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H15NO7/c1-5-17-8(12)6(2)18-11-7(9(13)15-3)10(14)16-4/h6H,5H2,1-4H3
InChIKeyKLENORGJHGUODL-UHFFFAOYSA-N
MW261.23 g/mol
LogP-0.34
Rot. Bonds6

About dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate

dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate (PubChem CID 23239497) has the molecular formula C10H15NO7 and a molecular weight of 261.23 g/mol. Its IUPAC name is dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate.

Molecular Properties

Compound Namedimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate
PubChem CID23239497
Molecular FormulaC10H15NO7
Molecular Weight261.23 g/mol
Exact Mass261.08
IUPAC Namedimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate
SMILESCCOC(=O)C(C)ON=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H15NO7/c1-5-17-8(12)6(2)18-11-7(9(13)15-3)10(14)16-4/h6H,5H2,1-4H3
InChIKeyKLENORGJHGUODL-UHFFFAOYSA-N
XLogP-0.34
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate?
The IUPAC name of dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate (CID 23239497) is dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate.
What is the SMILES notation for dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate?
The canonical SMILES for dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate is CCOC(=O)C(C)ON=C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate?
The InChIKey is KLENORGJHGUODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO7/c1-5-17-8(12)6(2)18-11-7(9(13)15-3)10(14)16-4/h6H,5H2,1-4H3.
What are the key properties of dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate?
dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate has a molecular weight of 261.23 g/mol, XLogP of -0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate is sourced from PubChem (CID 23239497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).