ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate

C10H17NO3 — CID 143079598

IUPACethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
SMILESCCOC(=O)/C(=N\O)C1CCCCC1
InChIInChI=1S/C10H17NO3/c1-2-14-10(12)9(11-13)8-6-4-3-5-7-8/h8,13H,2-7H2,1H3/b11-9-
InChIKeyDJSBJRMSUWGKIO-LUAWRHEFSA-N
MW199.25 g/mol
LogP1.96
Rot. Bonds3

About ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate

ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate (PubChem CID 143079598) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
PubChem CID143079598
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
SMILESCCOC(=O)/C(=N\O)C1CCCCC1
InChIInChI=1S/C10H17NO3/c1-2-14-10(12)9(11-13)8-6-4-3-5-7-8/h8,13H,2-7H2,1H3/b11-9-
InChIKeyDJSBJRMSUWGKIO-LUAWRHEFSA-N
XLogP1.96
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.96
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

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ethyl cyclohexanecarboxylate;hydrochloride
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ethyl 2-hydroxyimino-2-piperidin-1-ylacetate
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ethyl (E)-2-(cyclohexanecarbonyl)-3-hydroxyprop-2-enoate
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ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
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ethyl 2-cyclopropyl-2-oxoacetate
CID 18370816
ethyl (E)-2-cyano-3-cyclohexylpent-2-enoate
CID 21153318
ethyl (Z)-3-cyclohexyl-3-fluoroprop-2-enoate
CID 138979949
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate (CID 143079598) is ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate is CCOC(=O)/C(=N\O)C1CCCCC1.
What is the InChIKey of ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate?
The InChIKey is DJSBJRMSUWGKIO-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-14-10(12)9(11-13)8-6-4-3-5-7-8/h8,13H,2-7H2,1H3/b11-9-.
What are the key properties of ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate?
ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate has a molecular weight of 199.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate is sourced from PubChem (CID 143079598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).