(2-oxocyclohexyl) 5-bromofuran-2-carboxylate

C11H11BrO4 — CID 3625853

IUPAC(2-oxocyclohexyl) 5-bromofuran-2-carboxylate
SMILESO=C(OC1CCCCC1=O)c1ccc(Br)o1
InChIInChI=1S/C11H11BrO4/c12-10-6-5-9(15-10)11(14)16-8-4-2-1-3-7(8)13/h5-6,8H,1-4H2
InChIKeyYZFOXTURZNKOSX-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.71
Rot. Bonds2

About (2-oxocyclohexyl) 5-bromofuran-2-carboxylate

(2-oxocyclohexyl) 5-bromofuran-2-carboxylate (PubChem CID 3625853) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is (2-oxocyclohexyl) 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name(2-oxocyclohexyl) 5-bromofuran-2-carboxylate
PubChem CID3625853
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name(2-oxocyclohexyl) 5-bromofuran-2-carboxylate
SMILESO=C(OC1CCCCC1=O)c1ccc(Br)o1
InChIInChI=1S/C11H11BrO4/c12-10-6-5-9(15-10)11(14)16-8-4-2-1-3-7(8)13/h5-6,8H,1-4H2
InChIKeyYZFOXTURZNKOSX-UHFFFAOYSA-N
XLogP2.71
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) 5-bromofuran-2-carboxylate?
The IUPAC name of (2-oxocyclohexyl) 5-bromofuran-2-carboxylate (CID 3625853) is (2-oxocyclohexyl) 5-bromofuran-2-carboxylate.
What is the SMILES notation for (2-oxocyclohexyl) 5-bromofuran-2-carboxylate?
The canonical SMILES for (2-oxocyclohexyl) 5-bromofuran-2-carboxylate is O=C(OC1CCCCC1=O)c1ccc(Br)o1.
What is the InChIKey of (2-oxocyclohexyl) 5-bromofuran-2-carboxylate?
The InChIKey is YZFOXTURZNKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c12-10-6-5-9(15-10)11(14)16-8-4-2-1-3-7(8)13/h5-6,8H,1-4H2.
What are the key properties of (2-oxocyclohexyl) 5-bromofuran-2-carboxylate?
(2-oxocyclohexyl) 5-bromofuran-2-carboxylate has a molecular weight of 287.11 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) 5-bromofuran-2-carboxylate is sourced from PubChem (CID 3625853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).