(Z)-heptadec-8-ene
PubChem CID: 5352243
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| Compound Synonyms | 8Z-Heptadecene, (Z)-heptadec-8-ene, (Z)-8-Heptadecene, (8Z)-heptadec-8-ene, 8-Heptadecene, (8Z)-, cis-8-Heptadecene, BIQKRILZMDQPHI-ICFOKQHNSA-N, CHEBI:169689, LMFA11000102 |
|---|---|
| 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=CCCCCCCC |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-heptadec-8-ene |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BIQKRILZMDQPHI-ICFOKQHNSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.8823529411764706 |
| Logs | -4.242 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.928 |
| Synonyms | (z)-8-heptadecene, cis-8-heptadecene |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC |
| Compound Name | (Z)-heptadec-8-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 238.5 |
| 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 | -5.8091458 |
| Inchi | InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h15,17H,3-14,16H2,1-2H3/b17-15- |
| Smiles | CCCCCCCC/C=C\CCCCCCC |
| 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 Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Yucca Gloriosa (Plant) Rel Props:Reference:ISBN:9780387706375