ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate

C10H19NO3 — CID 155055498

IUPACethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate
SMILESCCOC(=O)C(C)(CC)/C(C)=N/OC
InChIInChI=1S/C10H19NO3/c1-6-10(4,8(3)11-13-5)9(12)14-7-2/h6-7H2,1-5H3/b11-8+
InChIKeyFHPHHDVJPQUJSY-DHZHZOJOSA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds5

About ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate

ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate (PubChem CID 155055498) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate.

Molecular Properties

Compound Nameethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate
PubChem CID155055498
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate
SMILESCCOC(=O)C(C)(CC)/C(C)=N/OC
InChIInChI=1S/C10H19NO3/c1-6-10(4,8(3)11-13-5)9(12)14-7-2/h6-7H2,1-5H3/b11-8+
InChIKeyFHPHHDVJPQUJSY-DHZHZOJOSA-N
XLogP1.99
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
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 ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate?
The IUPAC name of ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate (CID 155055498) is ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate.
What is the SMILES notation for ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate?
The canonical SMILES for ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate is CCOC(=O)C(C)(CC)/C(C)=N/OC.
What is the InChIKey of ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate?
The InChIKey is FHPHHDVJPQUJSY-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-10(4,8(3)11-13-5)9(12)14-7-2/h6-7H2,1-5H3/b11-8+.
What are the key properties of ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate?
ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-2-ethyl-3-methoxyimino-2-methylbutanoate is sourced from PubChem (CID 155055498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).