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

Structure

InChI Key QVOKCWHGLQFWFQ-UXBLZVDNSA-N
Smiles CCCCCCCO/C=C/CC
InChI
InChI=1S/C11H22O/c1-3-5-7-8-9-11-12-10-6-4-2/h6,10H,3-5,7-9,11H2,1-2H3/b10-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22O1
Molecular Weight 170.17
AlogP 3.9
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 56052-80-3
NORMAN SUSDAT
PubChem 5366295
ChemSpider 4518185.0