6-(2-ethoxyethoxy)-6-oxohexanoic acid

C10H18O5 — CID 22169586

IUPAC6-(2-ethoxyethoxy)-6-oxohexanoic acid
SMILESCCOCCOC(=O)CCCCC(=O)O
InChIInChI=1S/C10H18O5/c1-2-14-7-8-15-10(13)6-4-3-5-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKeyWZJQHYWZFOBMPF-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.21
Rot. Bonds9

About 6-(2-ethoxyethoxy)-6-oxohexanoic acid

6-(2-ethoxyethoxy)-6-oxohexanoic acid (PubChem CID 22169586) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-6-oxohexanoic acid
PubChem CID22169586
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name6-(2-ethoxyethoxy)-6-oxohexanoic acid
SMILESCCOCCOC(=O)CCCCC(=O)O
InChIInChI=1S/C10H18O5/c1-2-14-7-8-15-10(13)6-4-3-5-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKeyWZJQHYWZFOBMPF-UHFFFAOYSA-N
XLogP1.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2-ethoxyethoxy)-6-oxohexanoic acid 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

6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
CID 58559856
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
CID 150033358
10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate
CID 91739044
9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
CID 152519011
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 162774593
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
ethane-1,2-diol;ethene;ethoxyethane;6-oxo-6-propoxyhexanoic acid
CID 173084349
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-6-oxohexanoic acid?
The IUPAC name of 6-(2-ethoxyethoxy)-6-oxohexanoic acid (CID 22169586) is 6-(2-ethoxyethoxy)-6-oxohexanoic acid.
What is the SMILES notation for 6-(2-ethoxyethoxy)-6-oxohexanoic acid?
The canonical SMILES for 6-(2-ethoxyethoxy)-6-oxohexanoic acid is CCOCCOC(=O)CCCCC(=O)O.
What is the InChIKey of 6-(2-ethoxyethoxy)-6-oxohexanoic acid?
The InChIKey is WZJQHYWZFOBMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-2-14-7-8-15-10(13)6-4-3-5-9(11)12/h2-8H2,1H3,(H,11,12).
What are the key properties of 6-(2-ethoxyethoxy)-6-oxohexanoic acid?
6-(2-ethoxyethoxy)-6-oxohexanoic acid has a molecular weight of 218.25 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-6-oxohexanoic acid is sourced from PubChem (CID 22169586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).