Dihydrojasmone lactone
PubChem CID: 285097
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| Compound Synonyms | Dihydrojasmone lactone, 7011-83-8, gamma-Methyl-gamma-decanolactone, 5-hexyl-5-methyloxolan-2-one, 4-methyl-4-decanolide, 4-Methyldecanolide, 2(3H)-Furanone, 5-hexyldihydro-5-methyl-, gamma-Methyldecalactone, gamma-Methyl decalactone, Lactojamon, 5-hexyl-5-methyldihydrofuran-2(3h)-one, 5-Hexyldihydro-5-methyl-2(3H)-furanone, FEMA No. 3786, .gamma.-Methyldecalactone, ANJ13KO1RK, EINECS 230-291-1, gamma-Methyl-gamma-decalactone, NSC 141822, BRN 0123344, 5-hexyl-5-methyl-2-oxolanone, 5-Hexyldihydro-5-methylfuran-2(3H)-one, DTXSID3041299, .gamma.-Methyl-.gamma.-decalactone, 4-Hydroxy-4-methyldecanoic acid gamma-lactone, NSC-141822, DECANOIC ACID, 4-HYDROXY-4-METHYL-, gamma-LACTONE, DTXCID1021299, .GAMMA.-METHYLDECALACTONE [FHFI], 5-hexyl-5-methyldihydro-2(3H)-furanone, Decanoic acid, 4-hydroxy-4-methyl-, .gamma.-lactone, CAPRIC ACID, .GAMMA.-HYDROXY-.GAMMA.-METHYL-, LACTONE, UNII-ANJ13KO1RK, g-Methyldecalactone, ?-methyldecalactone, g-Methyl decalactone, MFCD00036642, NSC141822, SCHEMBL112728, CHEMBL3182347, CHEBI:171848, Tox21_302312, gamma-Methyl decalactone, 96%, FG, .gamma.-Methyl-.gamma.-decanolactone, AKOS015908287, 5-methyl-5-hexyl-dihydro-furan-2-one, 4-Hydroxy-4-methyldecanoic acid lactone, NCGC00255439-01, CAS-7011-83-8, CS-0360787, M0786, NS00012876, Q27274025, CAPRIC ACID, GAMMA-HYDROXY-GAMMA-METHYL-, LACTONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | CCCCCCCC)CCC=O)O5 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Lactones |
| Description | Flavouring ingredient |
| Scaffold Graph Node Level | OC1CCCO1 |
| Classyfire Subclass | Gamma butyrolactones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hexyl-5-methyloxolan-2-one |
| Class | Lactones |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Gamma butyrolactones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O2 |
| Scaffold Graph Node Bond Level | O=C1CCCO1 |
| Inchi Key | ALWUKGXLBSQSMA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2(3H)-Furanone, 5-hexyldihydro-5-methyl-, 4-Hydroxy-4-methyldecanoic acid gamma-lactone, 4-Methyldecanolide, 5-hexyl-5-methyloxolan-2-one, 5-Hexyldihydro-5-methyl-2(3H)-furanone, 5-Hexyldihydro-5-methylfuran-2(3H)-one, Decanoic acid, 4-hydroxy-4-methyl-, gamma-lactone, Dihydrojasmone lactone, Gamma-methyl decalactone, Gamma-methyl-gamma-decanolactone, Gamma-methyldecalactone, 4-Hydroxy-4-methyldecanoic acid lactone, 4-Methyl-4-decanolide, g-Methyldecalactone, dihydrojasmone lactone |
| Esol Class | Soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Dihydrojasmone lactone |
| Kingdom | Organic compounds |
| Exact Mass | 184.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3 |
| Smiles | CCCCCCC1(CCC(=O)O1)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Gamma butyrolactones |
- 1. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698455