Gamma-Dodecalactone
PubChem CID: 16821
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| Compound Synonyms | gamma-Dodecalactone, 4-Dodecanolide, 2305-05-7, 5-octyloxolan-2-one, 2(3H)-Furanone, dihydro-5-octyl-, GAMMA-DODECANOLACTONE, Dodecanolide-1,4, .gamma.-Dodecalactone, Dodecan-4-olide, 4-Hydroxydodecanoic acid lactone, Dihydro-5-octyl-2(3H)-furanone, gamma-Dodecalactone (natural), FEMA No. 2400, 5-OCTYLDIHYDROFURAN-2(3H)-ONE, g-Dodecalactone, Dihydro-5-octylfuran-2(3H)-one, (+/-)-4-Dodecanolide, gamma Dodecalactone, .gamma.-Dodecanolide, YX9N4581LU, 5-octyl-2-oxolanone, DTXSID7047190, 5-Octyl-dihydrofuran-2(3H)-one, .gamma.-Dodecanolactone, EINECS 218-971-6, MFCD00036499, NSC 26511, NSC-26511, 4-Hydroxy-4-octylbutanoic acid lactone, UNII-YX9N4581LU, (GAMMA)-DODECALACTONE, .gamma.-n-Octyl-.gamma.-N-butyrolactone, DODECANO-1,4-LACTONE, 4-Hydroxydodecanoic acid, .gamma.-lactone, AI3-35986, CHEMBL195215, DTXCID5027190, GAMMA-DODECALACTONE [FCC], (RS)-.GAMMA.-DODECALACTONE, .gamma.-Octyl-.gamma.-butyrolactone, 2-(3H)-Furanone, 5-octyldihydro-, 5-OCTYLTETRAHYDRO-2-FURANONE, xi-Dihydro-5-octyl-2(3H)-furanone, .GAMMA.-DODECALACTONE [FHFI], (+/-)-.GAMMA.-DODECALACTONE, (+/-)-gamma-Octyl-gamma-butyrolactone, .GAMMA,-OCTYL-.GAMMA.-BUTYROLACTONE, Dodecanoic acid, 4-hydroxy-, .gamma.-lactone, 4-HYDROXYDODECANOIC ACID GAMMA.-LACTONE, 4-HYDROXYDODECANOIC ACID(GAMMA)-LACTONE, dodecalactone, gamma-Octyl-gamma-butyrolactone, gamma-Laurolactone, gamma-n-Octyl-gamma-N-butyrolactone, .gamma. Dodecalactone, gamma -Dodecanolactone, R-(+)-g-Dodecalactone, Dodecanoic acid, 4-hydroxy-, gamma-lactone, WLN: T5OVTJ E8, (+/-)-delta-dodecanolactone, 5-Octyl-dihydro-furan-2-one, SCHEMBL111041, (RS)-GAMMA-DODECALACTONE, 5-octyl-tetrahydro-furan-2-one, Dodecanoic acid, .gamma.-lactone, CHEBI:171837, (.+/-.)-4-n-Octylbutyrolactone, (+/-)-GAMMA-DODECALACTONE, 5-Octyldihydro-2(3H)-furanone #, NSC26511, Tox21_302617, BDBM50168008, LMFA07040042, AKOS015904896, FG04103, (+/-)-4-N-OCTYLBUTYROLACTONE, 4-Hydroxydodecanoic acid, gamma-lactone, gamma-Dodecalactone, analytical standard, .GAMMA,-OCTYL-GAMMA-BUTYROLACTONE, gamma-Dodecalactone, >=97%, FCC, FG, NCGC00256822-01, AS-61143, (+/-)-Dihydro-5-octyl-2(3H)-furanone, CAS-2305-05-7, DB-003478, gamma-Dodecalactone, natural, >=98%, FG, CS-0320646, D1576, NS00012351, D89886, Q27294762, 57084-18-1 |
|---|---|
| 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 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCCCCCCCC=O)O5 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Lactones |
| Description | It is used in perfumery and flavour industries. |
| Scaffold Graph Node Level | OC1CCCO1 |
| Classyfire Subclass | Gamma butyrolactones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-octyloxolan-2-one |
| Class | Lactones |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Gamma butyrolactones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O2 |
| Scaffold Graph Node Bond Level | O=C1CCCO1 |
| Inchi Key | WGPCZPLRVAWXPW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | g-Dodecalactone, Γ-dodecalactone, gamma dodecalactone, gamma-dodecalactone, γ-dodecalactone |
| Esol Class | Soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Gamma-Dodecalactone |
| Kingdom | Organic compounds |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| 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/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3 |
| Smiles | CCCCCCCCC1CCC(=O)O1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Gamma butyrolactones |
| Np Classifier Superclass | Fatty esters |
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