5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid

C12H18O6 — CID 113426720

IUPAC5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
SMILESCOCCOCCOC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H18O6/c1-9(17-8-7-16-6-5-15-2)10-3-4-11(18-10)12(13)14/h3-4,9H,5-8H2,1-2H3,(H,13,14)
InChIKeyMZZOCHVGOKXHJY-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.72
Rot. Bonds9

About 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid

5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid (PubChem CID 113426720) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
PubChem CID113426720
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
SMILESCOCCOCCOC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H18O6/c1-9(17-8-7-16-6-5-15-2)10-3-4-11(18-10)12(13)14/h3-4,9H,5-8H2,1-2H3,(H,13,14)
InChIKeyMZZOCHVGOKXHJY-UHFFFAOYSA-N
XLogP1.72
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid
CID 79083530
methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate
CID 106446592
5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
CID 106947351
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 22680826
5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
5-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoyl]furan-2-carboxylic acid
CID 140815589
5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
CID 62205827
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid (CID 113426720) is 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid is COCCOCCOC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid?
The InChIKey is MZZOCHVGOKXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6/c1-9(17-8-7-16-6-5-15-2)10-3-4-11(18-10)12(13)14/h3-4,9H,5-8H2,1-2H3,(H,13,14).
What are the key properties of 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid?
5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 113426720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).