2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid

C15H20O3 — CID 165441462

IUPAC2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)oc1C1CCC1
InChIInChI=1S/C15H20O3/c16-15(17)12-9-13(10-5-2-1-3-6-10)18-14(12)11-7-4-8-11/h9-11H,1-8H2,(H,16,17)
InChIKeyZOJGDGALLQSROO-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.29
Rot. Bonds3

About 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid

2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid (PubChem CID 165441462) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid
PubChem CID165441462
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)oc1C1CCC1
InChIInChI=1S/C15H20O3/c16-15(17)12-9-13(10-5-2-1-3-6-10)18-14(12)11-7-4-8-11/h9-11H,1-8H2,(H,16,17)
InChIKeyZOJGDGALLQSROO-UHFFFAOYSA-N
XLogP4.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid?
The IUPAC name of 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid (CID 165441462) is 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid is O=C(O)c1cc(C2CCCCC2)oc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid?
The InChIKey is ZOJGDGALLQSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-15(17)12-9-13(10-5-2-1-3-6-10)18-14(12)11-7-4-8-11/h9-11H,1-8H2,(H,16,17).
What are the key properties of 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid?
2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid is sourced from PubChem (CID 165441462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).