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

Structure

InChI Key QXPIZWAQIIGDDU-UHFFFAOYSA-N
Smiles CC1(C)C2CCC1C(C2)C3CCCCC3O
InChI
InChI=1S/C15H26O/c1-15(2)10-7-8-13(15)12(9-10)11-5-3-4-6-14(11)16/h10-14,16H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O1
Molecular Weight 222.2
AlogP 3.61
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 69834-10-2
NORMAN SUSDAT