methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate

C10H19NO3 — CID 74025253

IUPACmethyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate
SMILESCOC(=O)C(C)(CC=NO)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-9(2,3)10(4,6-7-11-13)8(12)14-5/h7,13H,6H2,1-5H3
InChIKeyHJBXFOIJHHMXSI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate

methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate (PubChem CID 74025253) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate
PubChem CID74025253
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate
SMILESCOC(=O)C(C)(CC=NO)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-9(2,3)10(4,6-7-11-13)8(12)14-5/h7,13H,6H2,1-5H3
InChIKeyHJBXFOIJHHMXSI-UHFFFAOYSA-N
XLogP2.06
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate?
The IUPAC name of methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate (CID 74025253) is methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate.
What is the SMILES notation for methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate?
The canonical SMILES for methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate is COC(=O)C(C)(CC=NO)C(C)(C)C.
What is the InChIKey of methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate?
The InChIKey is HJBXFOIJHHMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)10(4,6-7-11-13)8(12)14-5/h7,13H,6H2,1-5H3.
What are the key properties of methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate?
methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyiminoethyl)-2,3,3-trimethylbutanoate is sourced from PubChem (CID 74025253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).