Lilac aldehyde
PubChem CID: 155007
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| Compound Synonyms | Lilac aldehyde, 2-(5-ethenyl-5-methyloxolan-2-yl)propanal, 67920-63-2, Lilac aldehyde B, 51685-39-3, CZ348GQG4G, CHEBI:25038, 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)propanal, 2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propanal, 2-(5-ethenyl-5-methyltetrahydrofuran-2-yl)propanal, 2-Furanacetaldehyde, 5-ethenyltetrahydro-alpha,5-dimethyl-, (+/-)-2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propionaldehyde, (+-)-2-(5-METHYL-5-VINYLTETRAHYDROFURAN-2-YL)PROPIONALDEHYDE, Lilac aldehyde (isomer II), (+/-)-lilac aldehyde, UNII-CZ348GQG4G, SCHEMBL3505874, FEMA NO. 4058, DTXSID90867402, 2-Furanacetaldehyde, 5-ethenyltetrahydro-.alpha.,5-dimethyl-, (.alpha.S,2S,5S)-, DB-299374, NS00127007, 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)propanal #, Q27109862, 5-Ethenyltetrahydro-alpha,5-dimethyl-2-Furanacetaldehyde, TETRAHYDRO-ALPHA,5-DIMETHYL-5-VINYL-2-FURANACETALDEHYDE, (+\/-)-2-(5-Methyl-5-vinyl-tetrahydrofuran-2-yl)propionaldehyde, 2-FURANACETALDEHYDE, 5-ETHENYLTETRAHYDRO-.ALPHA.,5-DIMETHYL-, TETRAHYDRO-.ALPHA.,5-DIMETHYL-5-VINYL-2-FURANACETALDEHYDE, (+/-)-2-(5-METHYL-5-VINYL TETRAHYDROFURAN-2-YL) PROPIONALDEHYDE, (+/-)-2-(5-METHYL-5-VINYL-TETRAHYDROFURAN-2-YL)PROPIONALDEHYDE, (+/-)-2-(5-METHYL-5-VINYL TETRAHYDROFURAN-2-YL) PROPIONALDEHYDE [FHFI] |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Isolated from bergamot oil. Fliederaldehyde is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-ethenyl-5-methyloxolan-2-yl)propanal |
| Prediction Hob | 1.0 |
| Class | Tetrahydrofurans |
| Xlogp | 1.5 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YPZQHCLBLRWNMJ-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.278 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.051 |
| Synonyms | 2-(1-Formylethyl)-5-methyl-5-vinyltetrahydrofuran, 5-Ethenyltetrahydro-a,5-dimethyl-2-furanacetaldehyde, 9CI, 5-Ethenyltetrahydro-alpha,5-dimethyl-2-furanacetaldehyde, Lilac aldehyde, Tetrahydro-a,5-dimethyl-5-vinyl-2-furanacetaldehyde, 2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propanal, 2-(5-Ethenyl-5-methyltetrahydrofuran-2-yl)propanal, 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)propanal, 5-ethenyltetrahydro-alpha,5-Dimethyl-2-furanacetaldehyde, Lilac aldehyde a, Lilac aldehyde b, Lilac aldehyde c, Lilac aldehyde D |
| Compound Name | Lilac aldehyde |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -1.6300632 |
| Inchi | InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3 |
| Smiles | CC(C=O)C1CCC(O1)(C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tetrahydrofurans |
- 1. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all