1,5,9-TRIMETHYL-1-VINYLDECA-4,8-DIENYL PHENYLACETATE

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

Structure

InChI Key FHYSZDJZDKDKIJ-UHFFFAOYSA-N
Smiles O=C(OC(C=C)(C)CCC=C(C)CCC=C(C)C)CC=1C=CC=CC1
InChI
InChI=1/C23H32O2/c1-6-23(5,17-11-14-20(4)13-10-12-19(2)3)25-22(24)18-21-15-8-7-9-16-21/h6-9,12,14-16H,1,10-11,13,17-18H2,2-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32O2
Molecular Weight 340.24
AlogP 6.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 26.3
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 85030-16-6
NORMAN SUSDAT
PubChem 53421864
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