(Z)-Non-6-enal
PubChem CID: 5362720
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| Compound Synonyms | cis-6-Nonenal, 2277-19-2, (Z)-Non-6-enal, (Z)-6-Nonenal, cis-6-Nonen-1-al, 6-Nonenal, (6Z)-, (6Z)-non-6-enal, 6-Nonenal, cis-, (6Z)-6-Nonenal, 6-NONENAL, (Z)-, FEMA No. 3580, (z)-6-nonen-1-al, 6-cis-Nonenal, EINECS 218-900-9, BRN 2323664, AI3-35876, UNII-D8027Y6086, NONENAL, CIS-6-, CIS-6-NONENAL [FHFI], D8027Y6086, DTXSID4051879, FEMA 3580, CHEBI:142591, Z-6-nonenal, (cis)-6-nonenal, MFCD00014683, (cis)-non-6-enal, 6Z-Nonen-1-al, (6Z)-6-Nonenal #, SCHEMBL580567, DTXCID2030439, cis-6-Nonenal, >=95%, FG, CAA27719, AS-76302, BP-10873, DB-254254, CS-0217378, NS00013039, E78208, EN300-7406688, Q27276229 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | O=CCCCC/C=CCC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavour component of melon (Cucumis melo)and is also present in cucumber (Cucumis sativus), raw lean fish and pepino fruit (Solanum muricaturm). Flavouring agent. (Z)-6-Nonenal is found in many foods, some of which are cucumber, fruits, muskmelon, and fishes. |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-non-6-enal |
| Prediction Hob | 1.0 |
| Class | Carbonyl compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.3 |
| Superclass | Organooxygen compounds |
| Subclass | Aldehydes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RTNPCOBSXBGDMO-ARJAWSKDSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.005 |
| Rotatable Bond Count | 6.0 |
| State | Liquid |
| Logd | 1.885 |
| Synonyms | (6Z)-6-Nonenal, (Z)-6-Nonenal, (Z)-Non-6-enal, 6-cis-Nonenal, 6-Nonenal, (6Z)-, 6-Nonenal, (Z)-, 6-Nonenal, cis-, cis-6-Nonen-1-Al, cis-6-Nonenal, FEMA 3580, Rac-glycerol 1-monodecanoate, (cis)-6-Nonenal, (cis)-Non-6-enal, cis-6-Nonen-1-al, rac-Glycerol 1-monodecanoate, (z)-6-nonenal, cis-6-nonenal |
| Substituent Name | Medium-chain aldehyde, Alpha-hydrogen aldehyde, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC, CC=O |
| Compound Name | (Z)-Non-6-enal |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.7813012000000001 |
| Inchi | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3/b4-3- |
| Smiles | CC/C=C\CCCCC=O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain aldehydes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaries (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Reference:ISBN:9788172361792 - 4. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all