Farnesyl-acetaldehyde
PubChem CID: 549645
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| Compound Synonyms | farnesyl-acetaldehyde, SCHEMBL9137864, 66408-55-7, 5,9,13-Trimethyl-4,8,12-tetradecatrienal |
|---|---|
| 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 | O=CCCC=CCCC=CCCC=CC)C)))))C)))))C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9,13-trimethyltetradeca-4,8,12-trienal |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H28O |
| Inchi Key | IDHMAJKSCCNULC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | farnesylacetaldehyde |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, CC=O |
| Compound Name | Farnesyl-acetaldehyde |
| Exact Mass | 248.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 248.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H28O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18/h9-10,13-14H,5-8,11-12H2,1-4H3 |
| Smiles | CC(=CCCC(=CCCC(=CCCC=O)C)C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020