1,2-Epoxyhexadecane
PubChem CID: 23741
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| Compound Synonyms | 1,2-EPOXYHEXADECANE, 7320-37-8, 2-Tetradecyloxirane, Oxirane, tetradecyl-, Tetradecyloxirane, Hexadecene epoxide, Hexadecylene oxide, Hexadecane, 1,2-epoxy-, 1,2-Hexadecane oxide, 1,2-Hexadecene epoxide, Oxirane, 2-tetradecyl-, NCI-C55538, CCRIS 2618, 1,2-Hexadecylene Oxide, HSDB 4187, EINECS 230-786-2, 1-hexadecene oxide, BRN 0110428, DTXSID9025245, UNII-B11674G91K, AI3-32877, DTXCID105245, CHEBI:34054, EC 230-786-2, 5-17-01-00169 (Beilstein Handbook Reference), 1,2-EPOXYHEXADECANE [HSDB], B11674G91K, epoxyhexadecane, tetradecyl oxirane, Oxirane, tetradecyl, MFCD00005151, 1,2-epoxyhexadecene, 1,2Hexadecane oxide, Oxirane, 2tetradecyl, 1,2Hexadecene epoxide, Hexadecane, 1,2epoxy, VIKOLOX 16, CYRACURE UVR 6216, SCHEMBL284098, CHEMBL1606644, HAA32037, Tox21_201042, AKOS015855788, NCGC00091269-01, NCGC00091269-02, NCGC00091269-03, NCGC00258595-01, BP-26279, CAS-7320-37-8, 1,2-Epoxyhexadecane, technical grade, 85%, CS-0204370, E0316, NS00005204, D90480, EN300-7420318, Q26840887, Z2301683706, 230-786-2 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16236 |
| Iupac Name | 2-tetradecyloxirane |
| Prediction Hob | 1.0 |
| Xlogp | 7.3 |
| Molecular Formula | C16H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSZTYVZOIUIIGA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.526 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.319 |
| Compound Name | 1,2-Epoxyhexadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 240.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1031721999999995 |
| Inchi | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3 |
| Smiles | CCCCCCCCCCCCCCC1CO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Thalictrum Ichangense (Plant) Rel Props:Source_db:npass_chem_all