5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid

C11H16O4 — CID 43126906

IUPAC5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid
SMILESCCC(C)(C)OCc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16O4/c1-4-11(2,3)14-7-8-5-6-9(15-8)10(12)13/h5-6H,4,7H2,1-3H3,(H,12,13)
InChIKeyPNVFKJADDVLQMT-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.68
Rot. Bonds5

About 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid

5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid (PubChem CID 43126906) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid
PubChem CID43126906
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid
SMILESCCC(C)(C)OCc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16O4/c1-4-11(2,3)14-7-8-5-6-9(15-8)10(12)13/h5-6H,4,7H2,1-3H3,(H,12,13)
InChIKeyPNVFKJADDVLQMT-UHFFFAOYSA-N
XLogP2.68
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
[5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
CID 62455317
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-carboxylic acid
CID 112586962
5-[(2-tert-butyl-4-ethylphenoxy)methyl]furan-2-carboxylic acid
CID 7138841
5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid
CID 66275403
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid
CID 165389443
5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
5-[(2-bromo-4-tert-butylphenoxy)methyl]furan-2-carboxylic acid
CID 20993310
5-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]furan-2-carboxylic acid
CID 22684980
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid (CID 43126906) is 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid is CCC(C)(C)OCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid?
The InChIKey is PNVFKJADDVLQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-11(2,3)14-7-8-5-6-9(15-8)10(12)13/h5-6H,4,7H2,1-3H3,(H,12,13).
What are the key properties of 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid?
5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43126906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).