Synonyms
Status
Molecule Category Free-form
UNII F2628ZD0FO
EPA CompTox DTXSID5048841

Structure

InChI Key YCYMCMYLORLIJX-SNVBAGLBSA-N
Smiles CCCCCC[C@@H](CCC)C(=O)O
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22O2
Molecular Weight 186.29
AlogP 3.46
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3187683
DrugBank DB05343
FDA SRS F2628ZD0FO
PubChem 208925
SureChEMBL SCHEMBL4365
ZINC ZINC000002509961