diethyl 2-propan-2-yloxyiminopropanedioate

C10H17NO5 — CID 583590

IUPACdiethyl 2-propan-2-yloxyiminopropanedioate
SMILESCCOC(=O)C(=NOC(C)C)C(=O)OCC
InChIInChI=1S/C10H17NO5/c1-5-14-9(12)8(10(13)15-6-2)11-16-7(3)4/h7H,5-6H2,1-4H3
InChIKeyNJCJSNFHRRNIEZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.89
Rot. Bonds6

About diethyl 2-propan-2-yloxyiminopropanedioate

diethyl 2-propan-2-yloxyiminopropanedioate (PubChem CID 583590) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is diethyl 2-propan-2-yloxyiminopropanedioate.

Molecular Properties

Compound Namediethyl 2-propan-2-yloxyiminopropanedioate
PubChem CID583590
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namediethyl 2-propan-2-yloxyiminopropanedioate
SMILESCCOC(=O)C(=NOC(C)C)C(=O)OCC
InChIInChI=1S/C10H17NO5/c1-5-14-9(12)8(10(13)15-6-2)11-16-7(3)4/h7H,5-6H2,1-4H3
InChIKeyNJCJSNFHRRNIEZ-UHFFFAOYSA-N
XLogP0.89
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 diethyl 2-propan-2-yloxyiminopropanedioate?
The IUPAC name of diethyl 2-propan-2-yloxyiminopropanedioate (CID 583590) is diethyl 2-propan-2-yloxyiminopropanedioate.
What is the SMILES notation for diethyl 2-propan-2-yloxyiminopropanedioate?
The canonical SMILES for diethyl 2-propan-2-yloxyiminopropanedioate is CCOC(=O)C(=NOC(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-propan-2-yloxyiminopropanedioate?
The InChIKey is NJCJSNFHRRNIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-5-14-9(12)8(10(13)15-6-2)11-16-7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of diethyl 2-propan-2-yloxyiminopropanedioate?
diethyl 2-propan-2-yloxyiminopropanedioate has a molecular weight of 231.25 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-propan-2-yloxyiminopropanedioate is sourced from PubChem (CID 583590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).