Keyword(s): Industrial Chemicals
Molecule Category Free-form
EPA CompTox DTXSID4072150

Structure

InChI Key OMJSSPXSNTYUNK-UHFFFAOYSA-N
Smiles CC1=C(O)C(=C(C)C(=C1)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C16H26O/c1-10-9-12(15(3,4)5)11(2)13(14(10)17)16(6,7)8/h9,17H,1-8H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26O
Molecular Weight 234.2
AlogP 4.6
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 70766-52-8
NORMAN SUSDAT