(Z)-OCTADEC-9-ENYL ISOVALERATE

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

Structure

InChI Key LOCNAPVACGRDIV-QXMHVHEDSA-N
Smiles O=C(OCCCCCCCCC=CCCCCCCCC)CC(C)C
InChI
InChI=1/C23H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h11-12,22H,4-10,13-21H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H44O2
Molecular Weight 352.33
AlogP 7.61
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 18.0
Polar Surface Area 26.3
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 51677-68-0
NORMAN SUSDAT
PubChem 6437025
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