Structure

InChI Key RBNWAMSGVWEHFP-UHFFFAOYSA-N
Smile CC1(O)CCC(C(C)(C)O)CC1
InChI
InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O2
Molecular Weight 172.27
AlogP 1.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Blepharitis 1 D001762 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1651998
EPA CompTox DTXSID7023643
FDA SRS MPF495B08R
Human Metabolome Database HMDB0035595
SureChEMBL SCHEMBL19192
ZINC ZINC000000002137