7-Hexadecene, (7E)-
PubChem CID: 5352264
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| Compound Synonyms | trans-7-Hexadecene, 7-Hexadecene, (E)-, F6QV85LZTW, 7-Hexadecene, (7E)-, UNII-F6QV85LZTW, 74533-92-9, (E)-7-Hexadecene, 7-Hexadecene, (E), (7E)-7-hexadecene, Q27277720 |
|---|---|
| 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 | CCCCCCCC/C=C/CCCCCC |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hexadec-7-ene |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZPUSPPFVAJNGY-FYWRMAATSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.875 |
| Logs | -6.812 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.037 |
| Synonyms | 7-hexadecene |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C |
| Compound Name | 7-Hexadecene, (7E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 224.42 |
| 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 |
| Esol | -5.447978399999999 |
| Inchi | InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16H2,1-2H3/b15-13+ |
| Smiles | CCCCCCCC/C=C/CCCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Reference:ISBN:9770972795006