Structure

InChI Key ZWNMRZQYWRLGMM-UHFFFAOYSA-N
Smiles CC(C)(O)CCC(C)(C)O
InChI
InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18O2
Molecular Weight 146.13
AlogP 1.31
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 40.46
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 110-03-2
NORMAN SUSDAT
PubChem 8031
ChemSpider 7740.0