Keyword(s): Natural Toxins
Molecule Category Free-form

Structure

InChI Key WSKLYRKBPFVGEJ-VZUCSPMQSA-N
Smiles CC(=CC(=O)C/C(=C/CC1COC(=O)C1=C)/C)C
InChI
InChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3/b11-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20O3
Molecular Weight 248.14
AlogP 2.98
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 43.37
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 23971-84-8
NORMAN SUSDAT
PubChem 11962174
ChemSpider 10136417.0