1-Pentacosene
PubChem CID: 528972
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Pentacosene, pentacos-1-ene, Pentacosene, 16980-85-1, UNII-4NJA26G80G, 4NJA26G80G, n-C13H27CH=CH2, CHEBI:78465, DTXSID40168759, LMFA11000326, A838053, Q27147831 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentacos-1-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 13.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H50 |
| Inchi Key | BDWBGSCECOPTTH-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | 1-pentacosene, pentacos-1-ene, pentacosene |
| Esol Class | Poorly soluble |
| Functional Groups | C=CC |
| Compound Name | 1-Pentacosene |
| Exact Mass | 350.391 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.391 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 350.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-25H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Averrhoa Carambola (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165 - 3. Outgoing r'ship
FOUND_INto/from Matricaria Chamomilla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895210 - 4. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698517 - 5. Outgoing r'ship
FOUND_INto/from Protea Mellifera (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Salvia Mellifera (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Senegalia Mellifera (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063