6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid

C10H19NO4 — CID 118175045

IUPAC6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
SMILESCCO/C(C)=N\OCCCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-14-9(2)11-15-8-6-4-5-7-10(12)13/h3-8H2,1-2H3,(H,12,13)/b11-9-
InChIKeyMGSGSHAJGSDZIC-LUAWRHEFSA-N
MW217.26 g/mol
LogP2.02
Rot. Bonds8

About 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid

6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid (PubChem CID 118175045) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid.

Molecular Properties

Compound Name6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
PubChem CID118175045
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
SMILESCCO/C(C)=N\OCCCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-14-9(2)11-15-8-6-4-5-7-10(12)13/h3-8H2,1-2H3,(H,12,13)/b11-9-
InChIKeyMGSGSHAJGSDZIC-LUAWRHEFSA-N
XLogP2.02
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(4-bromobutoxy)ethanimidate
CID 54060616
(2,5-dihydroxypyrrol-1-yl) 6-(1-ethoxyethylideneamino)oxyhexanoate
CID 91392417
13-acetyloxytridecanoic acid
CID 10084643
23-ethoxy-23-oxotricosanoic acid
CID 67326593
22-acetyloxydocosanoic acid
CID 91481566
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
icosanoic acid;octadecyl acetate
CID 160822972
9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
CID 152519011
nonadecakis(decanoic acid);ethyl decanoate;octadecyl icosanoate
CID 175591452
5-acetyloxypentanoic acid
CID 12642003
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
12-heptoxycarbonyloxydodecanoic acid
CID 57225474

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid?
The IUPAC name of 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid (CID 118175045) is 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid.
What is the SMILES notation for 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid?
The canonical SMILES for 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid is CCO/C(C)=N\OCCCCCC(=O)O.
What is the InChIKey of 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid?
The InChIKey is MGSGSHAJGSDZIC-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-14-9(2)11-15-8-6-4-5-7-10(12)13/h3-8H2,1-2H3,(H,12,13)/b11-9-.
What are the key properties of 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid?
6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid has a molecular weight of 217.26 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid is sourced from PubChem (CID 118175045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).