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6-Pentyl-2-pyrone

CAT: 0572-TRC-P284950-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P284950-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27593-23-3
Synonyms
2H-Pyran-2-one, 6-pentyl-; 6-Pentyl-2H-pyran-2-one; 6-(1-Pentyl)-2H-pyran-2-one; 6-Pentyl-2-pyrone; 6-Pentyl-α-pyrone; 6-Pentylpyran-2-one; 6-n-Pentyl-2H-pyran-2-one; 6-n-Pentyl-α-pyrone; 6-Amyl-2-pyrone; 6-Amyl-α-pyrone
Hazard Statement
No Data Available
Smiles
CCCCCC1=CC=CC(=O)O1
Molecular Formula
C10 H14 O2
Molecular Weight
166.217
InChI
InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
Additionnal Information
IUPAC name: 6-pentylpyran-2-one
Shipping Conditions
Room Temperature

Chemical Information

6-n-pentyl-2H-pyran-2-one

6-n-Pentyl-alpha-pyrone is a natural product found in Myrothecium and Trichoderma koningii. It has a role as a metabolite.

CAS Number27593-23-3
PubChem CID33960
IUPAC Name6-pentylpyran-2-one
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity214
SMILES
CCCCCC1=CC=CC(=O)O1
InChI
InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
InChIKey
MAUFTTLGOUBZNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-n-pentyl-2H-pyran-2-one
CAS: 27593-23-3
CID: 33960
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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