5,6-Dihydro-6-pentyl-2H-pyran-2-one
PubChem CID: 39914
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| Compound Synonyms | Massoia lactone, 54814-64-1, 5-hydroxy-2-decenoic acid lactone, 2-pentyl-2,3-dihydropyran-6-one, 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (+/-)-Massoilactone, 5,6-Dihydro-6-pentyl-2H-pyran-2-one, 6-Pentyl-5,6-dihydro-2H-pyran-2-one, 2-decen-5-olide, KUC3Q7KGG6, Massoilactone, (+/-)-, 5-Hydroxy-2-decenoic acid, delta-lactone, 5-Hydroxy-2-decenoic acid, lactone, C-10 massoia lactone, Massoy lactone, 6-pentyl-5,6-dihydropyran-2-one, (R)-massoia lactone, FEMA 3744, Massoialactone, 5-Hydroxy-2-decenoic acid D-lactone, (+/-)-MASSOIA LACTONE, EINECS 259-359-9, (R)-5,6-Dihydro-6-pentyl-2H-pyran-2-one, 5,6-Dihydro-6-pentyl-(R)-2H-Pyran-2-one, 5,6-Dihydro-6-pentyl-(6R)-2H-Pyran-2-one, C-10-Massoia lactone, 5,6-Dihydro-6-pentyl-(theta)-2H-Pyran-2-one, UNII-KUC3Q7KGG6, (.+/-.)-Massoilactone, 5-Hydroxy-2-decenoic acid, delta-lactone (natural), SCHEMBL1686964, CHEMBL1991946, DTXSID80866186, CHEBI:195785, DEC-2-ENO-1,5-LACTONE, (+/-)-MASSOJA DECALACTONE, HY-N7435, 6-pentyl-5,6-dihydro-pyran-2-one, NSC720841, NSC-720841, Massoia Lactone, natural, >=95%, FG, DA-65259, NCI60_041415, 6-Pentyl-5,6-dihydro-2H-pyran-2-one #, CS-0128864, NS00012255, G84100, 5-Hydroxy-2-decenoic acid laquo deltaRaquo -lactone, Q6784821, 2-DECENOIC ACID, 5-HYDROXY-, .DELTA.-LACTONE, 5,6-Dihydro-6-pentyl-2H-pyran-2-one, 5-Hydroxy-2-decenoic Acid d-Lactone, (+/-)-Massoia Lactone, (+/-)-Massoja Decalactone, 2-Decen-5-olide, |
|---|---|
| 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 | 2-pyrone derivatives |
| Deep Smiles | CCCCCCCC=CC=O)O6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Pyrans |
| Description | Present in blackberries and cane molasses. Flavouring ingredient. 5,6-Dihydro-6-pentyl-2H-pyran-2-one is found in fruits. |
| Scaffold Graph Node Level | OC1CCCCO1 |
| Classyfire Subclass | Pyranones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-pentyl-2,3-dihydropyran-6-one |
| Class | Pyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyranones and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O2 |
| Scaffold Graph Node Bond Level | O=C1C=CCCO1 |
| Inchi Key | NEDIAPMWNCQWNW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-Decen-5-olide, 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (6R)-, 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (R)-, 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (theta)-, 5-hydroxy-2-decenoic acid «, delta», -lactone, 5-Hydroxy-2-decenoic acid d-lactone, 5-Hydroxy-2-decenoic acid delta-lactone, 5-hydroxy-2-decenoic acid lactone, 5-Hydroxy-2-decenoic acid, delta-lactone, 5-hydroxy-2-decenoic acid, lactone, 5,6-Dihydro-6-pentyl-2H-pyran-2-one, (R)-, C-10 massoia lactone, Cocolactone, FEMA 3744, Massoia lactone, Massoilactone, Massoy lactone, (R)-5,6-dihydro-6-Pentyl-2H-pyran-2-one, 5,6-dihydro-6-Pentyl-(6R)-2H-pyran-2-one, 5,6-dihydro-6-Pentyl-(R)-2H-pyran-2-one, 5,6-dihydro-6-Pentyl-(theta)-2H-pyran-2-one, 5-Hydroxy-2-decenoic acid D-lactone, 5-Hydroxy-2-decenoic acid lactone, 5-Hydroxy-2-decenoic acid laquo deltaraquo -lactone, 5-Hydroxy-2-decenoic acid, lactone, C-10 Massoia lactone, massoia lactone |
| Esol Class | Soluble |
| Functional Groups | O=C1C=CCCO1 |
| Compound Name | 5,6-Dihydro-6-pentyl-2H-pyran-2-one |
| Kingdom | Organic compounds |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| 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/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3 |
| Smiles | CCCCCC1CC=CC(=O)O1 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dihydropyranones |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108