methyl 3-methoxyimino-4-methylpentanoate

C8H15NO3 — CID 87787097

IUPACmethyl 3-methoxyimino-4-methylpentanoate
SMILESCON=C(CC(=O)OC)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)7(9-12-4)5-8(10)11-3/h6H,5H2,1-4H3
InChIKeyOTZQNTVASGLOOJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.21
Rot. Bonds4

About methyl 3-methoxyimino-4-methylpentanoate

methyl 3-methoxyimino-4-methylpentanoate (PubChem CID 87787097) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-methoxyimino-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-methoxyimino-4-methylpentanoate
PubChem CID87787097
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-methoxyimino-4-methylpentanoate
SMILESCON=C(CC(=O)OC)C(C)C
InChIInChI=1S/C8H15NO3/c1-6(2)7(9-12-4)5-8(10)11-3/h6H,5H2,1-4H3
InChIKeyOTZQNTVASGLOOJ-UHFFFAOYSA-N
XLogP1.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 3-methoxyimino-4-methylpentanoate?
The IUPAC name of methyl 3-methoxyimino-4-methylpentanoate (CID 87787097) is methyl 3-methoxyimino-4-methylpentanoate.
What is the SMILES notation for methyl 3-methoxyimino-4-methylpentanoate?
The canonical SMILES for methyl 3-methoxyimino-4-methylpentanoate is CON=C(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 3-methoxyimino-4-methylpentanoate?
The InChIKey is OTZQNTVASGLOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)7(9-12-4)5-8(10)11-3/h6H,5H2,1-4H3.
What are the key properties of methyl 3-methoxyimino-4-methylpentanoate?
methyl 3-methoxyimino-4-methylpentanoate has a molecular weight of 173.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxyimino-4-methylpentanoate is sourced from PubChem (CID 87787097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).