6-Hentriacontanol
PubChem CID: 5318007
Connections displayed (default: 10).
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| Compound Synonyms | 6-Hentriacontanol, hentriacontan-6-ol, 96850-32-7, DTXSID40415730, BTIPNGPHUGUYAR-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))))O |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hentriacontan-6-ol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C31H64O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTIPNGPHUGUYAR-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 1.0 |
| Logs | -7.616 |
| Rotatable Bond Count | 28.0 |
| Logd | 5.093 |
| Synonyms | hentriacontan-6-ol |
| Esol Class | Insoluble |
| Functional Groups | CO |
| Compound Name | 6-Hentriacontanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 452.496 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.496 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 452.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -10.318982400000001 |
| Inchi | InChI=1S/C31H64O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-31(32)29-27-6-4-2/h31-32H,3-30H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCC)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
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FOUND_INto/from Agrimonia Japonica (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Alisma Plantago (Plant) Rel Props:Reference: - 5. Outgoing r'ship
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FOUND_INto/from Plantago Bellardi (Plant) Rel Props:Reference: - 100. Outgoing r'ship
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FOUND_INto/from Pyrola Media (Plant) Rel Props:Reference: - 121. Outgoing r'ship
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FOUND_INto/from Ranzania Japonica (Plant) Rel Props:Reference: - 123. Outgoing r'ship
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FOUND_INto/from Skimmia Japonica (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Solanum Acaule (Plant) Rel Props:Reference: - 133. Outgoing r'ship
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FOUND_INto/from Solanum Anguivi (Plant) Rel Props:Reference: - 139. Outgoing r'ship
FOUND_INto/from Solanum Arundo (Plant) Rel Props:Reference: - 140. Outgoing r'ship
FOUND_INto/from Solanum Asperolanatum (Plant) Rel Props:Reference: - 141. Outgoing r'ship
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FOUND_INto/from Solanum Diflorum (Plant) Rel Props:Reference: - 154. Outgoing r'ship
FOUND_INto/from Solanum Dubium (Plant) Rel Props:Reference: - 155. Outgoing r'ship
FOUND_INto/from Solanum Dulcamara (Plant) Rel Props:Reference: - 156. Outgoing r'ship
FOUND_INto/from Solanum Elaeagnifolium (Plant) Rel Props:Reference: - 157. Outgoing r'ship
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FOUND_INto/from Solanum Jacquini (Plant) Rel Props:Reference: - 165. Outgoing r'ship
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FOUND_INto/from Solanum Jasminoides (Plant) Rel Props:Reference: - 167. Outgoing r'ship
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FOUND_INto/from Tarenna Asiatica (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Ternstroemia Japonica (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Tetracera Asiatica (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Tilia Japonica (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Toddalia Asiatica (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Torenia Asiatica (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Torilis Japonica (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Trapa Japonica (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Trichosanthes Anaimalaienis (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Trichosanthes Anguina (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Trichosanthes Bracteata (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Trichosanthes Cordata (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Trichosanthes Cucumerina (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Trichosanthes Cucumeroides (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Trichosanthes Dioica (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Trichosanthes Ichiana (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Trichosanthes Laciniosa (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Trichosanthes Lepiniana (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Trichosanthes Lobata (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Trichosanthes Nervifolia (Plant) Rel Props:Reference: - 237. Outgoing r'ship
FOUND_INto/from Trichosanthes Palmata (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 239. Outgoing r'ship
FOUND_INto/from Trichosanthes Tricuspidata (Plant) Rel Props:Reference: - 240. Outgoing r'ship
FOUND_INto/from Trichosanthes Wallichiana (Plant) Rel Props:Reference: - 241. Outgoing r'ship
FOUND_INto/from Typha Angustata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 242. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Typha Australis (Plant) Rel Props:Reference: - 244. Outgoing r'ship
FOUND_INto/from Typha Domingensis (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Typha Elephantina (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Typha Latifolia (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Typha Orientalis (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Youngia Japonica (Plant) Rel Props:Reference: