2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one

C13H20O3 — CID 69069591

IUPAC2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1CCC1CCCCC1
InChIInChI=1S/C13H20O3/c1-15-12-9-13(14)16-11(12)8-7-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyHNYOHXVKOPPTDB-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one

2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one (PubChem CID 69069591) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one
PubChem CID69069591
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1CCC1CCCCC1
InChIInChI=1S/C13H20O3/c1-15-12-9-13(14)16-11(12)8-7-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyHNYOHXVKOPPTDB-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one (CID 69069591) is 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one is COC1=CC(=O)OC1CCC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one?
The InChIKey is HNYOHXVKOPPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-15-12-9-13(14)16-11(12)8-7-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one?
2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one has a molecular weight of 224.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 69069591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).