5-butyl-5-ethylfuran-2-one

C10H16O2 — CID 13056787

IUPAC5-butyl-5-ethylfuran-2-one
SMILESCCCCC1(CC)C=CC(=O)O1
InChIInChI=1S/C10H16O2/c1-3-5-7-10(4-2)8-6-9(11)12-10/h6,8H,3-5,7H2,1-2H3
InChIKeyGKXXUGKMVXOLPB-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About 5-butyl-5-ethylfuran-2-one

5-butyl-5-ethylfuran-2-one (PubChem CID 13056787) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-butyl-5-ethylfuran-2-one.

Molecular Properties

Compound Name5-butyl-5-ethylfuran-2-one
PubChem CID13056787
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-butyl-5-ethylfuran-2-one
SMILESCCCCC1(CC)C=CC(=O)O1
InChIInChI=1S/C10H16O2/c1-3-5-7-10(4-2)8-6-9(11)12-10/h6,8H,3-5,7H2,1-2H3
InChIKeyGKXXUGKMVXOLPB-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-ethylfuran-2-one?
The IUPAC name of 5-butyl-5-ethylfuran-2-one (CID 13056787) is 5-butyl-5-ethylfuran-2-one.
What is the SMILES notation for 5-butyl-5-ethylfuran-2-one?
The canonical SMILES for 5-butyl-5-ethylfuran-2-one is CCCCC1(CC)C=CC(=O)O1.
What is the InChIKey of 5-butyl-5-ethylfuran-2-one?
The InChIKey is GKXXUGKMVXOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-7-10(4-2)8-6-9(11)12-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 5-butyl-5-ethylfuran-2-one?
5-butyl-5-ethylfuran-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-ethylfuran-2-one is sourced from PubChem (CID 13056787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).