Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key CPKAJMGGOFVEDN-UHFFFAOYSA-N
Smiles CC(CC(C)(C)C1CCCCC1)C1CCCCC1O
InChI
InChI=1S/C18H34O/c1-14(16-11-7-8-12-17(16)19)13-18(2,3)15-9-5-4-6-10-15/h14-17,19H,4-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34O1
Molecular Weight 266.26
AlogP 5.17
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 20.23
Heavy Atoms 19.0

Cross References

Resources Reference
NORMAN SUSDAT