10-Dodecyn-1-ol
PubChem CID: 522341
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| Compound Synonyms | 10-Dodecyn-1-ol, dodec-10-yn-1-ol, 69221-99-4, SCHEMBL2481345, CHEBI:87329, DTXSID50334923, AKOS006275084, Q27159531 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodec-10-yn-1-ol |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Is Pains | False |
| Molecular Formula | C12H22O |
| Prediction Swissadme | 1.0 |
| Inchi Key | QRCAOSBZJICIEK-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 8.0 |
| Compound Name | 10-Dodecyn-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 182.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1639033999999997 |
| Inchi | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,4-12H2,1H3 |
| Smiles | CC#CCCCCCCCCCO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients