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Tetradecane

PubChem CID: 12389

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Compound Synonyms Tetradecane, 629-59-4, N-TETRADECANE, Tetradecane, N-, CCRIS 715, Tetradekan, HSDB 5728, EINECS 211-096-0, MFCD00008986, NSC 72440, BRN 1733859, DTXSID1027267, UNII-03LY784Y58, CHEBI:41253, AI3-04240, NSC-72440, 03LY784Y58, DTXCID707267, EC 211-096-0, 4-01-00-00520 (Beilstein Handbook Reference), Tridecane, methyl-, Tetradecane, analytical standard, CH3-(CH2)12-CH3, CH3-[CH2]12-CH3, Tetradecane olefine, EINECS 292-448-0, Tetradecane, 99%, n-Tetradecane 10 microg/mL in Hexane, Tetradecane, >=99%, N-TETRADECANE [HSDB], Tetradecane_GurudeebanSatyavani, CHEMBL135488, MSK3509, DTXSID101022622, NSC72440, Tox21_303277, LMFA11000586, STL280540, AKOS004910010, 1ST3509, FT34597, HY-W094846, NCGC00257151-01, AS-56340, CAS-629-59-4, MSK3509-1000, SY010359, DB-054348, CS-0146758, NS00010784, T0079, Tetradecane, olefine free, >=99.0% (GC), 1ST3509-1000, G68413, n-Tetradecane Solution in Hexane, 1000?g/mL, n-Tetradecane Solution in Hexane, 1000mug/mL, Q150808, C72FCDE9-545A-4C7D-9907-1DFACCF43A82, Tetradecane, certified reference material, TraceCERT(R), 211-096-0
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 CCCCCCCCCCCCCC
Heavy Atom Count 14.0
Classyfire Class Saturated hydrocarbons
Description TETRADECANE, also known as N-tetradecane or ch3-[ch2]12-ch3, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, tetradecane is considered to be a hydrocarbon lipid molecule. TETRADECANE is a mild, alkane, and waxy tasting compound and can be found in a number of food items such as sweet bay, summer savory, green bell pepper, and lemon balm, which makes tetradecane a potential biomarker for the consumption of these food products. Tetradecane can be found primarily in feces and saliva.
Classyfire Subclass Alkanes
Isotope Atom Count 0.0
Molecular Complexity 74.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name tetradecane
Prediction Hob 1.0
Class Saturated hydrocarbons
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 7.2
Superclass Hydrocarbons
Subclass Alkanes
Gsk 4 400 Rule False
Molecular Formula C14H30
Prediction Swissadme 0.0
Inchi Key BGHCVCJVXZWKCC-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 1.0
Logs -6.923
Rotatable Bond Count 11.0
State liquid
Logd 4.548
Synonyms Alkanes, C14-16, Alkanes, C14-30, n-TETRADECANE, 99%, Paraffinic hydrocarbons (C14-C30), Tetradecane, Tetradekan, CH3-[CH2]12-CH3, N-Tetradecane, n-tetradecane, tetra decane, tetradecane, tetradecane, n
Esol Class Moderately soluble
Compound Name Tetradecane
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 198.235
Formal Charge 0.0
Monoisotopic Mass 198.235
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 198.39
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 -4.8800428
Inchi InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
Smiles CCCCCCCCCCCCCC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Alkanes
Np Classifier Superclass Fatty acyls

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  • 12. Outgoing r'ship FOUND_IN to/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all
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  • 24. Outgoing r'ship FOUND_IN to/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 32. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all
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  • 41. Outgoing r'ship FOUND_IN to/from Ceratophyllum Demersum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588
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  • 44. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 73. Outgoing r'ship FOUND_IN to/from Haematococcus Lacustris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 74. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060310
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  • 97. Outgoing r'ship FOUND_IN to/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 98. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 112. Outgoing r'ship FOUND_IN to/from Nicotiana Undulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 113. Outgoing r'ship FOUND_IN to/from Nigella Sativa (Plant) Rel Props:Reference:ISBN:9770972795006
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  • 117. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 119. Outgoing r'ship FOUND_IN to/from Panax Schinseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 120. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1331
  • 121. Outgoing r'ship FOUND_IN to/from Parthenium Hysterophorus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700867
  • 122. Outgoing r'ship FOUND_IN to/from Passiflora Foetida (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643715
  • 123. Outgoing r'ship FOUND_IN to/from Passiflora Incarnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 124. Outgoing r'ship FOUND_IN to/from Pelargonium Odoratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643701
  • 125. Outgoing r'ship FOUND_IN to/from Petiveria Alliacea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.820673
  • 126. Outgoing r'ship FOUND_IN to/from Pimenta Dioica (Plant) Rel Props:Source_db:fooddb_chem_all
  • 127. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 128. Outgoing r'ship FOUND_IN to/from Pistacia Vera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698558
  • 129. Outgoing r'ship FOUND_IN to/from Plectranthus Glabratus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698226
  • 130. Outgoing r'ship FOUND_IN to/from Polianthes Tuberosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1259590
  • 131. Outgoing r'ship FOUND_IN to/from Prosopis Farcta (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1652
  • 132. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596
  • 133. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700021
  • 134. Outgoing r'ship FOUND_IN to/from Raphanus Raphanistrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698955
  • 135. Outgoing r'ship FOUND_IN to/from Rhaponticum Uniflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 136. Outgoing r'ship FOUND_IN to/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748
  • 137. Outgoing r'ship FOUND_IN to/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748
  • 138. Outgoing r'ship FOUND_IN to/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 139. Outgoing r'ship FOUND_IN to/from Rhus Coriaria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698267
  • 140. Outgoing r'ship FOUND_IN to/from Rosa Damascena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.890081
  • 141. Outgoing r'ship FOUND_IN to/from Rosa Gallica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643794
  • 142. Outgoing r'ship FOUND_IN to/from Rubia Tinctorum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1667
  • 143. Outgoing r'ship FOUND_IN to/from Rubus Ulmifolius (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699766
  • 144. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 145. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 146. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 147. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
  • 148. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643550
  • 149. Outgoing r'ship FOUND_IN to/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all
  • 150. Outgoing r'ship FOUND_IN to/from Satureja Hortensis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 151. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 152. Outgoing r'ship FOUND_IN to/from Sonchus Arvensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.989185
  • 153. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643343
  • 154. Outgoing r'ship FOUND_IN to/from Stachys Byzantina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643837
  • 155. Outgoing r'ship FOUND_IN to/from Stachys Lavandulifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594
  • 156. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1731
  • 157. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643556
  • 158. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 159. Outgoing r'ship FOUND_IN to/from Tetraclinis Articulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698842
  • 160. Outgoing r'ship FOUND_IN to/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730010204
  • 161. Outgoing r'ship FOUND_IN to/from Trachyspermum Ammi (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831565
  • 162. Outgoing r'ship FOUND_IN to/from Trianthema Portulacastrum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1205523
  • 163. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700417
  • 164. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 165. Outgoing r'ship FOUND_IN to/from Tripolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 166. Outgoing r'ship FOUND_IN to/from Tussilago Farfara (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643595
  • 167. Outgoing r'ship FOUND_IN to/from Uvaria Calamistrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 168. Outgoing r'ship FOUND_IN to/from Vallisneria Spiralis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588
  • 169. Outgoing r'ship FOUND_IN to/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063
  • 170. Outgoing r'ship FOUND_IN to/from Vincetoxicum Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 171. Outgoing r'ship FOUND_IN to/from Vincetoxicum Stauntonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 172. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 173. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 174. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 175. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 176. Outgoing r'ship FOUND_IN to/from Zataria Multiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699800
  • 177. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1417747
  • 178. Outgoing r'ship FOUND_IN to/from Zinnia Elegans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699552
  • 179. Outgoing r'ship FOUND_IN to/from Ziziphora Capitata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643774
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