ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate

C13H23NO3 — CID 18370085

IUPACethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
SMILESCCOC(=O)/C(CCCC1CCCCC1)=N/O
InChIInChI=1S/C13H23NO3/c1-2-17-13(15)12(14-16)10-6-9-11-7-4-3-5-8-11/h11,16H,2-10H2,1H3/b14-12+
InChIKeyVEYMBZJHHZQGIX-WYMLVPIESA-N
MW241.33 g/mol
LogP3.13
Rot. Bonds6

About ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate

ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate (PubChem CID 18370085) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate.

Molecular Properties

Compound Nameethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
PubChem CID18370085
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
SMILESCCOC(=O)/C(CCCC1CCCCC1)=N/O
InChIInChI=1S/C13H23NO3/c1-2-17-13(15)12(14-16)10-6-9-11-7-4-3-5-8-11/h11,16H,2-10H2,1H3/b14-12+
InChIKeyVEYMBZJHHZQGIX-WYMLVPIESA-N
XLogP3.13
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.13
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'}

Analyze ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370113
ethyl 5-cyclohexyl-2-methylidenepentanoate
CID 54419238
benzyl 5-cyclohexyl-2-hydroxyiminopentanoate
CID 73432788
ethyl 6-cyclohexyl-3-oxohexanoate
CID 101146928
ethyl 4-cyclohexyl-2-methylidenebutanoate
CID 101255888
ethyl (2Z)-5-cyano-2-hydroxyiminopentanoate
CID 6399056
ethyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 143079598
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
ethyl acetate;hexylcyclohexane
CID 23285784
1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
5-cycloheptyl-2-ethoxycarbonylpentanoic acid
CID 54419492
4-cyclopentyl-N-methylbutanehydrazide
CID 116845176

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate?
The IUPAC name of ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate (CID 18370085) is ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate.
What is the SMILES notation for ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate?
The canonical SMILES for ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate is CCOC(=O)/C(CCCC1CCCCC1)=N/O.
What is the InChIKey of ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate?
The InChIKey is VEYMBZJHHZQGIX-WYMLVPIESA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-13(15)12(14-16)10-6-9-11-7-4-3-5-8-11/h11,16H,2-10H2,1H3/b14-12+.
What are the key properties of ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate?
ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate has a molecular weight of 241.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate is sourced from PubChem (CID 18370085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).