[(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate

C11H19NO5 — CID 177430503

IUPAC[(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate
SMILESCO/N=C(\C)C(C)(COC(C)=O)COC(C)=O
InChIInChI=1S/C11H19NO5/c1-8(12-15-5)11(4,6-16-9(2)13)7-17-10(3)14/h6-7H2,1-5H3/b12-8+
InChIKeyOWXWGBORKWTIEZ-XYOKQWHBSA-N
MW245.27 g/mol
LogP1.14
Rot. Bonds6

About [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate

[(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate (PubChem CID 177430503) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate.

Molecular Properties

Compound Name[(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate
PubChem CID177430503
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate
SMILESCO/N=C(\C)C(C)(COC(C)=O)COC(C)=O
InChIInChI=1S/C11H19NO5/c1-8(12-15-5)11(4,6-16-9(2)13)7-17-10(3)14/h6-7H2,1-5H3/b12-8+
InChIKeyOWXWGBORKWTIEZ-XYOKQWHBSA-N
XLogP1.14
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate?
The IUPAC name of [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate (CID 177430503) is [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate.
What is the SMILES notation for [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate?
The canonical SMILES for [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate is CO/N=C(\C)C(C)(COC(C)=O)COC(C)=O.
What is the InChIKey of [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate?
The InChIKey is OWXWGBORKWTIEZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8(12-15-5)11(4,6-16-9(2)13)7-17-10(3)14/h6-7H2,1-5H3/b12-8+.
What are the key properties of [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate?
[(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate has a molecular weight of 245.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-2-(acetyloxymethyl)-3-methoxyimino-2-methylbutyl] acetate is sourced from PubChem (CID 177430503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).