Cyclopentanone, 3-[3,5-decadienyl]-, (E,E)-
PubChem CID: 5362837
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| Compound Synonyms | Cyclopentanone, 3-[3,5-decadienyl]-, (E,E)-, MUCZESFIYHKOBE-BSWSSELBSA-N, 3-[(3E,5E)-3,5-Decadienyl]cyclopentanone # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | CCCC/C=C/C=C/CCCCCC=O)C5 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 250.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(3E,5E)-deca-3,5-dienyl]cyclopentan-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | O=C1CCCC1 |
| Inchi Key | MUCZESFIYHKOBE-BSWSSELBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 3-[(3e,5e)-deca-3,5-dienyl]cyclopentan-1-one |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C=C/C, CC(C)=O |
| Compound Name | Cyclopentanone, 3-[3,5-decadienyl]-, (E,E)- |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(16)13-14/h5-8,14H,2-4,9-13H2,1H3/b6-5+,8-7+ |
| Smiles | CCCC/C=C/C=C/CCC1CCC(=O)C1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Reference:https://doi.org/10.5935/0103-5053.20130263