3-acetyl-2-cyclohexyl-2H-furan-5-one

C12H16O3 — CID 15209254

IUPAC3-acetyl-2-cyclohexyl-2H-furan-5-one
SMILESCC(=O)C1=CC(=O)OC1C1CCCCC1
InChIInChI=1S/C12H16O3/c1-8(13)10-7-11(14)15-12(10)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3
InChIKeySKGFUBDVSQIWNK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.01
Rot. Bonds2

About 3-acetyl-2-cyclohexyl-2H-furan-5-one

3-acetyl-2-cyclohexyl-2H-furan-5-one (PubChem CID 15209254) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-acetyl-2-cyclohexyl-2H-furan-5-one.

Molecular Properties

Compound Name3-acetyl-2-cyclohexyl-2H-furan-5-one
PubChem CID15209254
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-acetyl-2-cyclohexyl-2H-furan-5-one
SMILESCC(=O)C1=CC(=O)OC1C1CCCCC1
InChIInChI=1S/C12H16O3/c1-8(13)10-7-11(14)15-12(10)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3
InChIKeySKGFUBDVSQIWNK-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-cyclohexyl-2H-furan-5-one?
The IUPAC name of 3-acetyl-2-cyclohexyl-2H-furan-5-one (CID 15209254) is 3-acetyl-2-cyclohexyl-2H-furan-5-one.
What is the SMILES notation for 3-acetyl-2-cyclohexyl-2H-furan-5-one?
The canonical SMILES for 3-acetyl-2-cyclohexyl-2H-furan-5-one is CC(=O)C1=CC(=O)OC1C1CCCCC1.
What is the InChIKey of 3-acetyl-2-cyclohexyl-2H-furan-5-one?
The InChIKey is SKGFUBDVSQIWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(13)10-7-11(14)15-12(10)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3.
What are the key properties of 3-acetyl-2-cyclohexyl-2H-furan-5-one?
3-acetyl-2-cyclohexyl-2H-furan-5-one has a molecular weight of 208.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-cyclohexyl-2H-furan-5-one is sourced from PubChem (CID 15209254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).