methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate

C12H21NO5 — CID 11334435

IUPACmethyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate
SMILESCCOC(C)/C(=N\OC1CCCCO1)C(=O)OC
InChIInChI=1S/C12H21NO5/c1-4-16-9(2)11(12(14)15-3)13-18-10-7-5-6-8-17-10/h9-10H,4-8H2,1-3H3/b13-11+
InChIKeySOXFLXALZMQLML-ACCUITESSA-N
MW259.30 g/mol
LogP1.48
Rot. Bonds6

About methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate

methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate (PubChem CID 11334435) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate.

Molecular Properties

Compound Namemethyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate
PubChem CID11334435
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namemethyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate
SMILESCCOC(C)/C(=N\OC1CCCCO1)C(=O)OC
InChIInChI=1S/C12H21NO5/c1-4-16-9(2)11(12(14)15-3)13-18-10-7-5-6-8-17-10/h9-10H,4-8H2,1-3H3/b13-11+
InChIKeySOXFLXALZMQLML-ACCUITESSA-N
XLogP1.48
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.48
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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Related Compounds

4-methyl-2-(oxan-2-yloxyimino)pentanoic acid
CID 54004954
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
ethyl 5-(oxan-2-yloxy)-3-oxohexanoate
CID 14279639
2-(oxan-2-yloxy)propanoic acid
CID 542280
3-(oxan-2-yloxy)butanoic acid
CID 14279636
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115
N-(oxan-2-yloxy)oct-5-en-3-imine
CID 88720218
2-ethoxy-1-(oxan-4-yl)propan-1-one
CID 64539233
N-cyclohexyl-2-ethoxypropanamide
CID 137320539

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate?
The IUPAC name of methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate (CID 11334435) is methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate.
What is the SMILES notation for methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate?
The canonical SMILES for methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate is CCOC(C)/C(=N\OC1CCCCO1)C(=O)OC.
What is the InChIKey of methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate?
The InChIKey is SOXFLXALZMQLML-ACCUITESSA-N. The full InChI is InChI=1S/C12H21NO5/c1-4-16-9(2)11(12(14)15-3)13-18-10-7-5-6-8-17-10/h9-10H,4-8H2,1-3H3/b13-11+.
What are the key properties of methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate?
methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate has a molecular weight of 259.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate is sourced from PubChem (CID 11334435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).