3-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]oxolan-2-one
PubChem CID: 131751904
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| Compound Synonyms | Marmelolactone A |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Contributes to the flavour of ripe quince fruit (Cydonia oblonga). Marmelolactone A is found in quince and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]oxolan-2-one |
| Nih Violation | False |
| Class | Lactones |
| Xlogp | 2.7 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Gamma butyrolactones |
| Molecular Formula | C10H14O2 |
| Inchi Key | VOJBXZDIFIJUKD-PLNGDYQASA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | Marmelolactone A, Marmelolactone B |
| Compound Name | 3-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]oxolan-2-one |
| Kingdom | Organic compounds |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4- |
| Smiles | CC1CC(OC1=O)/C=C\C(=C)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Gamma butyrolactones |
- 1. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:fooddb_chem_all