ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate

C13H23NO3 — CID 177606095

IUPACethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate
SMILESCCOC(=O)/C(=N\OC)/CCC1CCCCC1
InChIInChI=1S/C13H23NO3/c1-3-17-13(15)12(14-16-2)10-9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3/b14-12-
InChIKeyNJKDKUSAHSXSKI-OWBHPGMISA-N
MW241.33 g/mol
LogP4.00
Rot. Bonds7

About ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate

ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate (PubChem CID 177606095) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate.

Molecular Properties

Compound Nameethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate
PubChem CID177606095
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate
SMILESCCOC(=O)/C(=N\OC)/CCC1CCCCC1
InChIInChI=1S/C13H23NO3/c1-3-17-13(15)12(14-16-2)10-9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3/b14-12-
InChIKeyNJKDKUSAHSXSKI-OWBHPGMISA-N
XLogP4.00
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity257

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.00
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 (2Z)-4-cyclohexyl-2-methoxyiminobutanoate?
The IUPAC name of ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate (CID 177606095) is ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate.
What is the SMILES notation for ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate?
The canonical SMILES for ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate is CCOC(=O)/C(=N\OC)/CCC1CCCCC1.
What is the InChIKey of ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate?
The InChIKey is NJKDKUSAHSXSKI-OWBHPGMISA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-17-13(15)12(14-16-2)10-9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3/b14-12-.
What are the key properties of ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate?
ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate has a molecular weight of 241.33 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-4-cyclohexyl-2-methoxyiminobutanoate is sourced from PubChem (CID 177606095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).