beta Farnesene
PubChem CID: 15228937
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| Compound Synonyms | beta farnesene, APAPGJJZPJQKJJ-NTCAYCPXSA-N, E78782 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Farnesane sesquiterpenoids, Hydrocarbons |
| Deep Smiles | CCC=C)CC/C=C/CCC=CC)C)))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H26 |
| Inchi Key | APAPGJJZPJQKJJ-NTCAYCPXSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | e,β-farnesene, e-β-farnesene |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, C=C(C)C, CC=C(C)C |
| Compound Name | beta Farnesene |
| Exact Mass | 206.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 206.37 |
| Gi Absorption | False |
| 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/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h9,12H,4,6-8,10-11H2,1-3,5H3/b15-12+ |
| Smiles | CCC(=C)CC/C=C(\C)/CCC=C(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls, Sesquiterpenoids |
- 1. Outgoing r'ship
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