1-Docosene
PubChem CID: 74138
Connections displayed (default: 10).
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| Compound Synonyms | 1-Docosene, 1599-67-3, docos-1-ene, Docosene, UNII-AAM97MY7YB, AAM97MY7YB, NSC 78486, EINECS 216-490-6, NSC-78486, AI3-36497, DTXSID5029219, CHEBI:84220, EC 216-490-6, 29730-67-4, MFCD00027085, 1-Docosene, >99%, DTXCID209219, NSC78486, LMFA11000312, AKOS028108465, AS-56237, DB-043441, CS-0213243, D1013, NS00008398, D89761, Q27157591, 216-490-6 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | docos-1-ene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 12.2 |
| Superclass | Hydrocarbons |
| Subclass | Unsaturated aliphatic hydrocarbons |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H44 |
| Inchi Key | SPURMHFLEKVAAS-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | 1 -docosene, 1-docosene, docosene |
| Esol Class | Poorly soluble |
| Functional Groups | C=CC |
| Compound Name | 1-Docosene |
| Kingdom | Organic compounds |
| Exact Mass | 308.344 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.344 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 308.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Unsaturated aliphatic hydrocarbons |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700965 - 2. Outgoing r'ship
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