Structure

InChI Key MSXVEPNJUHWQHW-UHFFFAOYSA-N
Smiles CCC(C)(C)O
InChI
InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12O1
Molecular Weight 88.09
AlogP 1.17
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 75-85-4
NORMAN SUSDAT
FDA SRS 69C393R11Z
PubChem 6405
ChemSpider 6165.0