(3Z,6Z)-Nona-3,6-dienal
PubChem CID: 5352808
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| Compound Synonyms | (3Z,6Z)-nona-3,6-dienal, (Z,Z)-3,6-Nonadienal, 21944-83-2, (3Z,6Z)-3,6-Nonadienal, 3,6-nonadienal, cis,cis-3,6-Nonadienal, (Z,Z)-3.6-Nonadienal, DTXSID10904489, 3,6-nonadienal,(Z,Z)-3,6-nonadienal, (3Z,6Z)-nonadienal, 3,6-Nonadienal, (Z,Z)-, SCHEMBL2597474, CHEBI:80444, DTXCID801333636, FN182678, EN300-633504, Q27149492, 837-819-5 |
|---|---|
| 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=CC/C=CC/C=CCC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Constituent of cucumber flavour. (3Z,6Z)-3,6-Nonadienal is found in green vegetables. |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,6Z)-nona-3,6-dienal |
| Class | Carbonyl compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.1 |
| Superclass | Organooxygen compounds |
| Subclass | Aldehydes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14O |
| Inchi Key | FIDBXHOCOXRPRO-CWWKMNTPSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (3Z,6Z)-3,6-Nonadienal, (Z,Z)-3,6-Nonadienal, (Z,Z)-3.6-Nonadienal, 3,6-Nonadienal, 3,6-Nonadienal, (Z,Z)-, (z,z)-3,6-nonadienol |
| Substituent Name | Medium-chain aldehyde, Alpha-hydrogen aldehyde, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC=O |
| Compound Name | (3Z,6Z)-Nona-3,6-dienal |
| Kingdom | Organic compounds |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6- |
| Smiles | CC/C=C\C/C=C\CC=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain aldehydes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9698616 - 2. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493 - 3. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201 - 4. Outgoing r'ship
FOUND_INto/from Muntingia Calabura (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700655