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

Structure

InChI Key RRJHOMPUEYYASJ-UHFFFAOYSA-N
Smiles CC(C)(C)OP(O)OC(C)(C)C
InChI
InChI=1S/C8H19O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h9H,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19O3P1
Molecular Weight 194.11
AlogP 2.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.69
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 749824-98-4
NORMAN SUSDAT
PubChem 518693
ChemSpider 452494.0