5-(tetradecoxymethyl)furan-2-carboxylic acid

C20H34O4 — CID 22152429

IUPAC5-(tetradecoxymethyl)furan-2-carboxylic acid
SMILESCCCCCCCCCCCCCCOCc1ccc(C(=O)O)o1
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-17-18-14-15-19(24-18)20(21)22/h14-15H,2-13,16-17H2,1H3,(H,21,22)
InChIKeyAHRBTYSSZGFDOV-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.20
Rot. Bonds16

About 5-(tetradecoxymethyl)furan-2-carboxylic acid

5-(tetradecoxymethyl)furan-2-carboxylic acid (PubChem CID 22152429) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 5-(tetradecoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(tetradecoxymethyl)furan-2-carboxylic acid
PubChem CID22152429
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name5-(tetradecoxymethyl)furan-2-carboxylic acid
SMILESCCCCCCCCCCCCCCOCc1ccc(C(=O)O)o1
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-17-18-14-15-19(24-18)20(21)22/h14-15H,2-13,16-17H2,1H3,(H,21,22)
InChIKeyAHRBTYSSZGFDOV-UHFFFAOYSA-N
XLogP6.20
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(decoxymethyl)furan-2-yl]methyl]propanedioic acid
CID 168891155
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
2-[[5-(decoxymethyl)furan-2-yl]methyl]-3-oxopropanoic acid;methanol
CID 168891159
5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-carboxylic acid
CID 112586962
2-methyl-5-(octoxymethyl)furan
CID 21314380
N-[[5-(octadecoxymethyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 130327903
sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
CID 173446967
[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide
CID 118173209
3-methyl-5-(octoxymethyl)furan-2-carboxylic acid
CID 43620815

Frequently Asked Questions

What is the IUPAC name of 5-(tetradecoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(tetradecoxymethyl)furan-2-carboxylic acid (CID 22152429) is 5-(tetradecoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(tetradecoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(tetradecoxymethyl)furan-2-carboxylic acid is CCCCCCCCCCCCCCOCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(tetradecoxymethyl)furan-2-carboxylic acid?
The InChIKey is AHRBTYSSZGFDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-17-18-14-15-19(24-18)20(21)22/h14-15H,2-13,16-17H2,1H3,(H,21,22).
What are the key properties of 5-(tetradecoxymethyl)furan-2-carboxylic acid?
5-(tetradecoxymethyl)furan-2-carboxylic acid has a molecular weight of 338.49 g/mol, XLogP of 6.20, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetradecoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 22152429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).