1-Hexadecene
PubChem CID: 12395
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| Compound Synonyms | 1-Hexadecene, 629-73-2, Hexadec-1-ene, Cetene, 1-Cetene, Hexadecylene-1, Cetylene, Hexadecene, 1-n-Hexadecene, alpha-Hexadecene, N-HEXADEC-1-ENE, alpha-Hexadecylene, Gulftene 16, Dialene 16, Hexadecene, 1-, .alpha.-Hexadecene, NSC 60602, HSDB 5730, EINECS 211-105-8, UNII-97T015M2UX, DTXSID1027269, CHEBI:77507, AI3-06556, 97T015M2UX, MFCD00008991, NSC-60602, DTXCID507269, EC 211-105-8, 1-Hexadecene, analytical standard, 26952-14-7, Hexadecene-1, UNII-38H8547VP0, Neodene 16, EINECS 248-131-4, EC 248-131-4, 1-Hexadecene, >=98.5%, CHEMBL3182381, N-HEXADEC-1-ENE [HSDB], NSC60602, Tox21_202748, 1-Hexadecene, technical grade, 92%, AKOS015902424, 38H8547VP0, NCGC00260296-01, CAS-629-73-2, LS-14545, 1-Hexadecene 10 microg/mL in Cyclohexane, 1-Hexadecene, puriss., >=99.0% (GC), CS-0158002, H0323, H0610, NS00006637, E81957, Q27147084, 211-105-8 |
|---|---|
| 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 | CCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Description | 1-hexadecene, also known as cetene or alpha-hexadecylene, is a member of the class of compounds known as unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. 1-hexadecene can be found in safflower, which makes 1-hexadecene a potential biomarker for the consumption of this food product. 1-hexadecene is more reactive than other hexadecene isomers, giving it a number of useful applications. For instance, 1-hexadecane is widely used as a surfactant in lubricating fluid, a drilling fluid in the boring and drilling industry, and in paper sizing . |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16236 |
| Iupac Name | hexadec-1-ene |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 8.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GQEZCXVZFLOKMC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.875 |
| Logs | -6.965 |
| Rotatable Bond Count | 13.0 |
| State | liquid |
| Logd | 4.468 |
| Synonyms | &alpha, -hexadecene, 1-Cetene, 1-n-Hexadecene, Alpha-hexadecene, Alpha-hexadecylene, Cetene, Cetylene, Dialene 16, Gulftene 16, Hexadec-1-ene, Hexadecene, Hexadecene-1, Hexadecylene-1, n-Hexadec-1-ene, Neodene 16, 1-hexadecene, cetene, hexadec-1-ene |
| Esol Class | Poorly soluble |
| Functional Groups | C=CC |
| Compound Name | 1-Hexadecene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 224.42 |
| 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 | -6.0119783999999985 |
| Inchi | InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3 |
| Smiles | CCCCCCCCCCCCCCC=C |
| 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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