Structure

InChI Key NLDDIKRKFXEWBK-UHFFFAOYSA-N
Smiles CCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1
InChI
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26O4
Molecular Weight 294.18
AlogP 3.23
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 66.76
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 1391-73-7
NORMAN SUSDAT
PubChem 3473
ChemSpider 3354.0