8-Undecenal, (8Z)-
PubChem CID: 6436710
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| Compound Synonyms | cis-8-Undecen-1-al, 8-Undecenal, (8Z)-, 147159-49-7, (Z)-undec-8-enal, UNII-U4OQ6978QW, (8Z)-8-undecenal, U4OQ6978QW, (8Z)-Undec-8-enal, DTXSID50888991, cis-8-Undecenal, (Z)-8-Undecenal, UNII-1ACS7NF3ZQ, EINECS 261-202-4, 1ACS7NF3ZQ, cis-8-Undecenal, 96%, cis-8-Undecenal, >=96%, 8-Undecenal, predominantly cis, SCHEMBL3506004, DWQXOILNGUCNSH-ARJAWSKDSA-N, DTXCID201028261, Q27290681 |
|---|---|
| Ghose Rule | True |
| 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 | CC/C=CCCCCCCC=O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-undec-8-enal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O |
| Inchi Key | DWQXOILNGUCNSH-ARJAWSKDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | (8z)-undecenal |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC=O |
| Compound Name | 8-Undecenal, (8Z)- |
| Exact Mass | 168.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,11H,2,5-10H2,1H3/b4-3- |
| Smiles | CC/C=C\CCCCCCC=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643595