2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid

C13H20O3 — CID 70891667

IUPAC2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid
SMILESCCC1=C(C(=O)O)CC(C2CCCCC2)O1
InChIInChI=1S/C13H20O3/c1-2-11-10(13(14)15)8-12(16-11)9-6-4-3-5-7-9/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyXXJKHCDUJMNYIY-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.10
Rot. Bonds3

About 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid

2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid (PubChem CID 70891667) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid
PubChem CID70891667
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid
SMILESCCC1=C(C(=O)O)CC(C2CCCCC2)O1
InChIInChI=1S/C13H20O3/c1-2-11-10(13(14)15)8-12(16-11)9-6-4-3-5-7-9/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeyXXJKHCDUJMNYIY-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid (CID 70891667) is 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid is CCC1=C(C(=O)O)CC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid?
The InChIKey is XXJKHCDUJMNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-11-10(13(14)15)8-12(16-11)9-6-4-3-5-7-9/h9,12H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid?
2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-ethyl-2,3-dihydrofuran-4-carboxylic acid is sourced from PubChem (CID 70891667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).