OCTANAL, 2,6-DIMETHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N4726GT28P

Structure

InChI Key CBOBADCVMLMQRW-UHFFFAOYSA-N
Smiles CCC(C)CCCC(C)C=O
InChI
InChI=1S/C10H20O/c1-4-9(2)6-5-7-10(3)8-11/h8-10H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O1
Molecular Weight 156.15
AlogP 3.04
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 7779-07-9
NORMAN SUSDAT
FDA SRS N4726GT28P
CONTENTS