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Methyl (z,e)-4-(geranyloxy)cinnamate

PubChem CID: 71720677

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Compound Synonyms CHEMBL2334420, methyl (z,e)-4-(geranyloxy)cinnamate
Topological Polar Surface Area 35.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 434.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name methyl (Z)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]prop-2-enoate
Prediction Hob 1.0
Xlogp 5.5
Molecular Formula C20H26O3
Prediction Swissadme 0.0
Inchi Key KSSYIBXTLHIBBX-ICMDQPEBSA-N
Fcsp3 0.35
Logs -5.613
Rotatable Bond Count 9.0
Logd 4.583
Compound Name Methyl (z,e)-4-(geranyloxy)cinnamate
Prediction Hob Swissadme 0.0
Exact Mass 314.188
Formal Charge 0.0
Monoisotopic Mass 314.188
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 314.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -4.87237847826087
Inchi InChI=1S/C20H26O3/c1-16(2)6-5-7-17(3)14-15-23-19-11-8-18(9-12-19)10-13-20(21)22-4/h6,8-14H,5,7,15H2,1-4H3/b13-10-,17-14+
Smiles CC(=CCC/C(=C/COC1=CC=C(C=C1)/C=C\C(=O)OC)/C)C
Nring 1.0
Defined Bond Stereocenter Count 2.0