9,13-Pentadecadien-2-one, 6,10,14-trimethyl-, (E)-
PubChem CID: 5363413
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| Compound Synonyms | SCHEMBL18953039, 9,13-Pentadecadien-2-one, 6,10,14-trimethyl-, (E)-, INPFUDIQDUQFDI-LFIBNONCSA-N, (9E)-6,10,14-Trimethyl-9,13-pentadecadien-2-one # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCC=O)C)))))CC/C=C/CCC=CC)C)))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H32O |
| Inchi Key | INPFUDIQDUQFDI-LFIBNONCSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | dihydrofarnesyl acetone |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, CC(C)=O, CC=C(C)C |
| Compound Name | 9,13-Pentadecadien-2-one, 6,10,14-trimethyl-, (E)- |
| Exact Mass | 264.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 264.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,17H,6-8,10,12-14H2,1-5H3/b16-11+ |
| Smiles | CC(CCCC(=O)C)CC/C=C(\C)/CCC=C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1606