ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate

C13H25NO4 — CID 172723618

IUPACethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate
SMILESCCCCCOC(C(=NO)C(=O)OCC)C(C)C
InChIInChI=1S/C13H25NO4/c1-5-7-8-9-18-12(10(3)4)11(14-16)13(15)17-6-2/h10,12,16H,5-9H2,1-4H3
InChIKeyGVRQFUCECKWVBL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds9

About ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate

ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate (PubChem CID 172723618) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate
PubChem CID172723618
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate
SMILESCCCCCOC(C(=NO)C(=O)OCC)C(C)C
InChIInChI=1S/C13H25NO4/c1-5-7-8-9-18-12(10(3)4)11(14-16)13(15)17-6-2/h10,12,16H,5-9H2,1-4H3
InChIKeyGVRQFUCECKWVBL-UHFFFAOYSA-N
XLogP2.61
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-hydroxyimino-4-methyl-3-pentoxypentanoate 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

ethyl (2E)-2-hydroxyimino-3-methylbutanoate
CID 11094910
3-methyl-2-octoxybutanehydrazide
CID 55213016
ethyl 2-nonoxypropanoate
CID 88680880
(2S)-2-butoxy-3-methylbutanoic acid
CID 88938476
2-pentoxypropanamide
CID 62900296
ethyl 2-fluoro-2-octoxyacetate
CID 79357216
ethyl 3-[4-(3-ethoxycarbonylbut-3-en-2-yloxy)butoxy]-2-methylidenebutanoate
CID 22894432
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate
CID 139854890
3-pentoxybutan-2-one
CID 43801294
heptyl 2-ethoxypropanoate
CID 175702782
methyl (2S)-2-hexoxypropanoate
CID 103337819

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate?
The IUPAC name of ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate (CID 172723618) is ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate.
What is the SMILES notation for ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate?
The canonical SMILES for ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate is CCCCCOC(C(=NO)C(=O)OCC)C(C)C.
What is the InChIKey of ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate?
The InChIKey is GVRQFUCECKWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-7-8-9-18-12(10(3)4)11(14-16)13(15)17-6-2/h10,12,16H,5-9H2,1-4H3.
What are the key properties of ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate?
ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate has a molecular weight of 259.35 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyimino-4-methyl-3-pentoxypentanoate is sourced from PubChem (CID 172723618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).