Dihydrojasmone
PubChem CID: 62378
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| Compound Synonyms | Dihydrojasmone, 1128-08-1, 3-methyl-2-pentylcyclopent-2-en-1-one, 3-Methyl-2-pentylcyclopent-2-enone, 2-Pentyl-3-methyl-2-cyclopenten-1-one, Jasmone, dihydro-, 2-CYCLOPENTEN-1-ONE, 3-METHYL-2-PENTYL-, 3-Methyl-2-pentyl-2-cyclopenten-1-one, Dihydrojasmone (natural), FEMA No. 3763, dihydro-jasmone, 2-Amyl-3-methyl-2-cyclopenten-1-one, 3-Methyl-2-(n-pentanyl)-2-cyclopenten-1-one, EINECS 214-434-5, Tetrahydropyrethrone, NSC 71928, UNII-Y953R7PP90, BRN 1906471, JASMONE,DIHYDRO, 2-n-Pentyl-3-methyl-2-cyclopenten-1-one, AI3-15185, Y953R7PP90, NSC-71928, 3-Methyl-2-pentyl-cyclopent-2-enone, DTXSID4051584, FEMA 3763, 4-07-00-00230 (Beilstein Handbook Reference), 2-AMYL-3-METHYL-2-CYCLOPENTENONE, 2-PENTYL-3-METHYL-2-CYCLOPENTENONE, METHYL-2-PENTYL-2-CYCLOPENTEN-1-ONE, MFCD00036480, 3-methyl-2-pentyl-cyclopent-2-en-1-one, SCHEMBL114204, CHEMBL3728427, DTXCID8030136, CHEBI:143730, Dihydrojasmone, analytical standard, HY-N7098, NSC71928, 3-methyl-2-pentyl-2-cyclopentenone, s5342, AKOS000120530, CCG-266335, Dihydrojasmone, >=98%, stabilized, FG, LS-13999, 3-Methyl-2-pentyl-2-cyclopenten-1-one #, DB-003324, CS-0082141, NS00012242, EN300-20968, D89856, Q1225162, Dihydrojasmone, 2-Pentyl-3-methyl-2-cyclopenten-1-one, Z104485560, 3- METHYL-2-(N-PENTANYL)-2-CYCLOPENTEN-1-ONE [FHFI], 3-METHYL-2-(N-PENTANYL)-2-CYCLOPENTEN-1-ONE [FHFI] |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | CCCCCC=CC)CCC5=O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring ingredient. Identified in bergamot orange oil (Citrus bergamia). Dihydrojasmone is found in citrus. |
| Scaffold Graph Node Level | OC1CCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-2-pentylcyclopent-2-en-1-one |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H18O |
| Scaffold Graph Node Bond Level | O=C1C=CCC1 |
| Inchi Key | YCIXWYOBMVNGTB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-Amyl-3-methyl-2-cyclopenten-1-one, 2-Cyclopenten-1-one, 3-methyl-2-pentyl-, 2-n-Pentyl-3-methyl-2-cyclopenten-1-one, 2-Pentyl-3-methyl-2-cyclopenten-1-one, 3-Methyl-2-(n-pentanyl)-2-cyclopenten-1-one, 3-Methyl-2-pentyl-2-cyclopenten-1-one, 3-Methyl-2-pentyl-cyclopent-2-enone, 3-methyl-2-pentylcyclopent-2-en-1-one, 3-Methyl-2-pentylcyclopent-2-enone, dihydro-Jasmone, Dihydrojasmone, FEMA 3763, Jasmone, dihydro-, Jasmone,dihydro, Tetrahydropyrethrone, 2-N-Pentyl-3-methyl-2-cyclopenten-1-one, 3-Methyl-2-(N-pentanyl)-2-cyclopenten-1-one, 3-Methyl-2-pentylcyclopent-2-en-1-one, dihydro-jasmone, dihydrojasmone |
| Esol Class | Soluble |
| Functional Groups | CC1=C(C)C(=O)CC1 |
| Compound Name | Dihydrojasmone |
| Kingdom | Organic compounds |
| Exact Mass | 166.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3 |
| Smiles | CCCCCC1=C(CCC1=O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cyclic ketones |
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