(Z)-6-Pentadecen-2-one
PubChem CID: 56936219
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| Compound Synonyms | (Z)-6-Pentadecen-2-one, 6Z-Pentadecen-2-one, BDLYSBLBXFYIRW-KHPPLWFESA-N, LMFA12000179, Q67866077 |
|---|---|
| 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 | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCC/C=CCCCC=O)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-pentadec-6-en-2-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H28O |
| Inchi Key | BDLYSBLBXFYIRW-KHPPLWFESA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | (z)-6-pentadecen-2-one |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC(C)=O |
| Compound Name | (Z)-6-Pentadecen-2-one |
| Exact Mass | 224.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.38 |
| 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/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h10-11H,3-9,12-14H2,1-2H3/b11-10- |
| Smiles | CCCCCCCC/C=C\CCCC(=O)C |
| 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 Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700185