5,7-Dodecadiyne-1,12-diol
PubChem CID: 560878
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| Compound Synonyms | 5,7-Dodecadiyne-1,12-diol, 74602-32-7, dodeca-5,7-diyne-1,12-diol, 5,7-Dodecadiyn-1,12-diol, DTXSID40225578, SCHEMBL302841, DTXCID70148069, 5,7-Dodecadiyne-1,12-diol #, MFCD00078343, AKOS006223162, CS-0455430 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodeca-5,7-diyne-1,12-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C12H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SEWYHOMCDKWYEF-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.904 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.576 |
| Compound Name | 5,7-Dodecadiyne-1,12-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 194.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6942987999999999 |
| Inchi | InChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,5-12H2 |
| Smiles | C(CCO)CC#CC#CCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients