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

C12H18O7 — CID 104560434

IUPAC5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
SMILESCOCCOCCOCCOc1ccc(C(=O)O)o1
InChIInChI=1S/C12H18O7/c1-15-4-5-16-6-7-17-8-9-18-11-3-2-10(19-11)12(13)14/h2-3H,4-9H2,1H3,(H,13,14)
InChIKeyMUZQUNDYEQNDRT-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.04
Rot. Bonds11

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

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid (PubChem CID 104560434) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
PubChem CID104560434
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
SMILESCOCCOCCOCCOc1ccc(C(=O)O)o1
InChIInChI=1S/C12H18O7/c1-15-4-5-16-6-7-17-8-9-18-11-3-2-10(19-11)12(13)14/h2-3H,4-9H2,1H3,(H,13,14)
InChIKeyMUZQUNDYEQNDRT-UHFFFAOYSA-N
XLogP1.04
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-(2-ethoxyethoxy)furan-2-carboxylic acid
CID 62205469
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
CID 62205827
5-(2-phenoxyethoxy)furan-2-carboxylic acid
CID 62205472
5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
CID 113426720
5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
CID 82954819
5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
CID 63943954
5-undec-10-enoxyfuran-2-carboxylic acid
CID 21327076
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-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
CID 106947351
dichloromethane;propan-2-yl 5-tetradecoxyfuran-2-carboxylate;5-tetradecoxyfuran-2-carboxylic acid
CID 157100187

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid?
The IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid (CID 104560434) is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid is COCCOCCOCCOc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid?
The InChIKey is MUZQUNDYEQNDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O7/c1-15-4-5-16-6-7-17-8-9-18-11-3-2-10(19-11)12(13)14/h2-3H,4-9H2,1H3,(H,13,14).
What are the key properties of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid?
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 1.04, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid is sourced from PubChem (CID 104560434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).