2-METHYLBUTYL DODECANOATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z2I6H4S4EK

Structure

InChI Key FCRFJODFZFEXDE-UHFFFAOYSA-N
Smiles CCCCCCCCCCCC(=O)OCC(C)CC
InChI
InChI=1S/C17H34O2/c1-4-6-7-8-9-10-11-12-13-14-17(18)19-15-16(3)5-2/h16H,4-15H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O2
Molecular Weight 270.26
AlogP 5.5
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 26.3
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 93815-53-3
NORMAN SUSDAT
FDA SRS Z2I6H4S4EK
CONTENTS