ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate

C10H19NO3 — CID 59873623

IUPACethyl (3E)-2-ethyl-3-hydroxyiminohexanoate
SMILESCCC/C(=N\O)C(CC)C(=O)OCC
InChIInChI=1S/C10H19NO3/c1-4-7-9(11-13)8(5-2)10(12)14-6-3/h8,13H,4-7H2,1-3H3/b11-9+
InChIKeyXSNIVCUGSKNTHZ-PKNBQFBNSA-N
MW201.27 g/mol
LogP2.21
Rot. Bonds6

About ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate

ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate (PubChem CID 59873623) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate.

Molecular Properties

Compound Nameethyl (3E)-2-ethyl-3-hydroxyiminohexanoate
PubChem CID59873623
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (3E)-2-ethyl-3-hydroxyiminohexanoate
SMILESCCC/C(=N\O)C(CC)C(=O)OCC
InChIInChI=1S/C10H19NO3/c1-4-7-9(11-13)8(5-2)10(12)14-6-3/h8,13H,4-7H2,1-3H3/b11-9+
InChIKeyXSNIVCUGSKNTHZ-PKNBQFBNSA-N
XLogP2.21
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.21
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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Related Compounds

(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
Cyclohexanecarboxylic acid, 4-(hydroxyimino)-, ethyl ester
CID 11593553
alpha'-Oximino-alpha-methyladipinsauredimethylester
CID 129629701
ethyl 2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-methylbutanoate
CID 134890945
[(2E)-2-methoxyiminocyclohexyl]methyl acetate
CID 135056821
Ethyl [2-(hydroxyimino)cyclopentyl]acetate
CID 6393794
ethyl (2E)-2-hydroxyimino-3-methyl-pentanoate
CID 9574404
3-Acetyl hexanedioic acid, methyl ester, methoxime, anti
CID 91749502
ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate
CID 177606095
methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate
CID 15297219
Diethyl 4-(hydroxyimino)heptanedioate
CID 20205337
Ethyl 2-ethanimidoylhexanoate
CID 54524706

Frequently Asked Questions

What is the IUPAC name of ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate?
The IUPAC name of ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate (CID 59873623) is ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate.
What is the SMILES notation for ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate?
The canonical SMILES for ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate is CCC/C(=N\O)C(CC)C(=O)OCC.
What is the InChIKey of ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate?
The InChIKey is XSNIVCUGSKNTHZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-7-9(11-13)8(5-2)10(12)14-6-3/h8,13H,4-7H2,1-3H3/b11-9+.
What are the key properties of ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate?
ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate has a molecular weight of 201.27 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate is sourced from PubChem (CID 59873623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).