1-Undecyne
PubChem CID: 75249
Connections displayed (default: 10).
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| Compound Synonyms | 1-Undecyne, 2243-98-3, undec-1-yne, undecyne, 102681-76-5, UNII-Y07U3Q24US, NSC 87633, Y07U3Q24US, EINECS 218-825-1, MFCD00015063, NSC-87633, 1-C11H20, DTXSID8062288, CHEBI:87545, Rutylidene, NSC 87633, , NSC87633, 1-Undecyne, AldrichCPR, NCIOpen2_001194, DTXCID9036694, CAA24398, AKOS006230421, AS-56253, SY049647, CS-0206842, NS00027182, U0033, D92754, EN300-124916, Q27159718, 218-825-1 |
|---|---|
| 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 | CCCCCCCCCC#C |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undec-1-yne |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Acetylides |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVSFLVNWJIEJRV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8181818181818182 |
| Logs | -4.951 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.865 |
| Synonyms | 1-undecyne |
| Esol Class | Soluble |
| Functional Groups | C#CC |
| Compound Name | 1-Undecyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 152.28 |
| 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 |
| Esol | -3.5540422 |
| Inchi | InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3 |
| Smiles | CCCCCCCCCC#C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Vitis Adnata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Vitis Amurensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Vitis Araneosus (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Vitis Betulifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Vitis Bifurcate (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Vitis Carnosa (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Vitis Coignetiae (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Vitis Heyneana (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Vitis Indica (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Vitis Labrusca (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Vitis Lanata (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Vitis Latifolia (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Vitis Pallida (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Vitis Pedata (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Vitis Planicaulis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Vitis Quadrangularis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Vitis Repens (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Vitis Rugosa (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Vitis Setosa (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Vitis Silvestris (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Vitis Tomentosa (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Vitis Trifolia (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Vitis Vulpina (Plant) Rel Props:Reference: