delta-UNDECALACTONE
PubChem CID: 61204
Connections displayed (default: 10).
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| Compound Synonyms | 710-04-3, delta-Undecalactone, 6-Hexyltetrahydro-2H-pyran-2-one, 6-hexyloxan-2-one, 2H-PYRAN-2-ONE, 6-HEXYLTETRAHYDRO-, 5-Undecanolide, Undecanoic delta-lactone, Delta undecalactone, Undecanolide-1,5, 5-Hydroxyundecanoic acid lactone, delta-Undecanolactone, delta-Hexylvalerolactone, FEMA No. 3294, .delta.-Hexylvalerolactone, .delta.-Undecalactone, EINECS 211-915-1, MFCD00006650, 2H-Pyran-2-one, tetrahydro-3-hexyl-, 5-Hexyl-5-hydroxypentanoic acid lactone, BRN 0122724, ERL32M2M38, DTXSID9047099, AI3-36029, Undecanoic acid, 5-hydroxy-, delta-lactone, .delta.-Hexyl-.delta.-valerolactone, 6-HEXYL-2H-TETRAHYDROPYRAN-2-ONE, .DELTA.-UNDECANOLACTONE, d-Undecanolactone, DTXCID7027099, DELTA-UNDECALACTONE [FCC], Undecanoic acid, 5-hydroxy-, .delta.-lactone, (RS)-.DELTA.-UNDECALACTONE, 5-17-09-00097 (Beilstein Handbook Reference), .DELTA.-UNDECALACTONE [FHFI], (+/-)-.DELTA.-UNDECALACTONE, 5-Hydroxyundecanoic Acid delta-Lactone, HENDECANOIC ACID, 5-HYDROXY-, LACTONE, Undecanoic, A-lactone, UNII-ERL32M2M38, 5Undecanolide, Undecan-5-olide, Undecanolide1,5, Undeca1,5lactone, .delta.-Undecanolide, 1,5-Undecanolactone, deltaHexylvalerolactone, 6Hexyltetrahydro2pyrone, Undecanoic delta -lactone, 6Hexyltetrahydro2Hpyran2one, 2HPyran2one, 6hexyltetrahydro, 5Hydroxyundecanoic acid lactone, delta-Hexyl-delta-valerolactone, CHEMBL372447, SCHEMBL1132045, Undecanoic delta-lactone, 98%, (RS)-DELTA-UNDECALACTONE, FEMA 3294, YZRXRLLRSPQHDK-UHFFFAOYSA-, delta-Undecalactone, >97%, FG, CHEBI:171846, (+/-)-DELTA-UNDECALACTONE, 5Hydroxyundecanoic acid deltalactone, 5Hexyl5hydroxypentanoic acid lactone, Tox21_302328, AKOS024386550, 5-Hydroxyundecanoic acid lactone, 8CI, CS-W016998, SB47812, Undecanoic acid, 5hydroxy, deltalactone, NCGC00255642-01, AS-61729, CAS-710-04-3, SY051695, DB-055478, 5-Hydroxy-n-undecanoic acid .delta.-lactone, H0344, NS00013315, D70227, Q27277328, InChI=1/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3, 211-915-1 |
|---|---|
| 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 | CC1CCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCCCCCCC=O)O6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Lactones |
| Description | It is used as a food additive |
| Scaffold Graph Node Level | OC1CCCCO1 |
| Classyfire Subclass | Delta valerolactones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hexyloxan-2-one |
| Class | Lactones |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Delta valerolactones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O2 |
| Scaffold Graph Node Bond Level | O=C1CCCCO1 |
| Inchi Key | YZRXRLLRSPQHDK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 1,5-Undecanolactone, 5-Hydroxyundecanoic acid lactone, 8CI, FEMA 3294, 5-Hydroxyundecanoic acid lactone, 8ci, Diosbulbin-e, δ-undecalactone |
| Esol Class | Soluble |
| Functional Groups | COC(C)=O |
| Compound Name | delta-UNDECALACTONE |
| 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/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3 |
| Smiles | CCCCCCC1CCCC(=O)O1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Delta valerolactones |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Aroma (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<266::aid-ffj739>3.0.co;2-5 - 2. Outgoing r'ship
FOUND_INto/from Acacia Caven (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<266::aid-ffj739>3.0.co;2-5