Keyword(s): Drinking Water Chemicals
Molecule Category Free-form
EPA CompTox DTXSID30859280

Structure

InChI Key ALSTYHKOOCGGFT-UHFFFAOYSA-N
Smiles CCCCCCCCC=CCCCCCCCCO
InChI
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H36O
Molecular Weight 268.28
AlogP 6.02
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 20.23
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 593-47-5
NORMAN SUSDAT