Tetracosane
PubChem CID: 12592
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| Compound Synonyms | TETRACOSANE, n-Tetracosane, 646-31-1, Lignocerane, UNII-YQ5H1M1D7I, YQ5H1M1D7I, NSC 2984, NSC-2984, EINECS 211-474-5, MFCD00009352, AI3-52698, DTXSID8060955, CHEBI:32936, HSDB 8354, Tricosane, methyl-, Tetracosane, analytical standard, CH3-(CH2)22-CH3, CH3-[CH2]22-CH3, Tetracosane, NSC 2984, n-Tetracosane, Tetracosane, 99%, CHEMBL4172502, DTXCID7044346, NSC2984, HY-N7933, LMFA11000585, STL301146, AKOS015843189, FT70256, AS-10445, DB-054706, CS-0138834, NS00010796, S0296, T0075, D92298, Q150988, 0A751D89-FC23-4E63-9FA0-2DD14DA5803E, 211-474-5 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Isolated from plant sources e.g. rose and orange oils Tetracosane, also called tetrakosane, is an alkane hydrocarbon with the structural formula H(CH2)24H. As with other alkanes, its name is derived from Greek for the number of carbon atoms, 24, in the molecule. It has 14,490,245 constitutional isomers. Lignocerane is found in many foods, some of which are white mustard, allspice, sunflower, and papaya. |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracosane |
| Prediction Hob | 0.0 |
| Class | Saturated hydrocarbons |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 12.6 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H50 |
| Prediction Swissadme | 0.0 |
| Inchi Key | POOSGDOYLQNASK-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.693 |
| Rotatable Bond Count | 21.0 |
| State | Solid |
| Logd | 5.005 |
| Synonyms | CH3-[CH2]22-CH3, Lignocerane, n-Tetracosane, N-Tetracosane, n-tetracosane, n-tetracosane (c-24), n-tetracosane*, tetracosane, tetracosane*, tetracosane, n, tetracosane,n-, tetracosane. n |
| Esol Class | Poorly soluble |
| Compound Name | Tetracosane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.391 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.391 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 338.7 |
| 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 |
| Esol | -8.504316800000002 |
| Inchi | InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Alkanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Manihot (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
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FOUND_INto/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637 - 136. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199601)11:1<57::aid-ffj549>3.0.co;2-k - 137. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 138. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1547226 - 139. Outgoing r'ship
FOUND_INto/from Rosa Centifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698472 - 140. Outgoing r'ship
FOUND_INto/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<37::aid-ffj605>3.0.co;2-v - 141. Outgoing r'ship
FOUND_INto/from Rosa Gallica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643794 - 142. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643346 - 143. Outgoing r'ship
FOUND_INto/from Salvadora Oleoides (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788185042053 - 144. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643346 - 145. Outgoing r'ship
FOUND_INto/from Salvia Virgata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700214 - 146. Outgoing r'ship
FOUND_INto/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995 - 147. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 148. Outgoing r'ship
FOUND_INto/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995 - 149. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995 - 150. Outgoing r'ship
FOUND_INto/from Solidago Canadensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644103 - 151. Outgoing r'ship
FOUND_INto/from Spartium Junceum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698800 - 152. Outgoing r'ship
FOUND_INto/from Stachys Byzantina (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594 - 153. Outgoing r'ship
FOUND_INto/from Stachys Lavandulifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594 - 154. Outgoing r'ship
FOUND_INto/from Stachys Sylvatica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1275 - 155. Outgoing r'ship
FOUND_INto/from Taxus Baccata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700371 - 156. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112 - 157. Outgoing r'ship
FOUND_INto/from Teucrium Chamaedrys (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700133 - 158. Outgoing r'ship
FOUND_INto/from Thymus Pulegioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643346 - 159. Outgoing r'ship
FOUND_INto/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699255 - 160. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643595 - 161. Outgoing r'ship
FOUND_INto/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063 - 162. Outgoing r'ship
FOUND_INto/from Vincetoxicum Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 163. Outgoing r'ship
FOUND_INto/from Vincetoxicum Stauntonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 164. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 165. Outgoing r'ship
FOUND_INto/from Viscum Coloratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 166. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700415 - 167. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492 - 168. Outgoing r'ship
FOUND_INto/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698490 - 169. Outgoing r'ship
FOUND_INto/from Zinnia Elegans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699552