Keyword(s): Industrial Chemicals
Molecule Category Free-form
EPA CompTox DTXSID60553764

Structure

InChI Key AFTBJQDQENGCPC-UHFFFAOYSA-N
Smiles CC1=CC(=C(O)C=C1C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C15H24O/c1-10-8-12(15(5,6)7)13(16)9-11(10)14(2,3)4/h8-9,16H,1-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O
Molecular Weight 220.18
AlogP 4.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 17688-83-4
NORMAN SUSDAT