3-Methyl-1-dodecyn-3-OL
PubChem CID: 21908640
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| Compound Synonyms | 3-METHYL-1-DODECYN-3-OL, 3-methyldodec-1-yn-3-ol, 24424-78-0, SCHEMBL215216, DTXSID50619904, INASARODRJUTTN-UHFFFAOYSA-N, AKOS024387395 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyldodec-1-yn-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C13H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | INASARODRJUTTN-UHFFFAOYSA-N |
| Fcsp3 | 0.8461538461538461 |
| Logs | -3.369 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.918 |
| Compound Name | 3-Methyl-1-dodecyn-3-OL |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 196.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2886708 |
| Inchi | InChI=1S/C13H24O/c1-4-6-7-8-9-10-11-12-13(3,14)5-2/h2,14H,4,6-12H2,1,3H3 |
| Smiles | CCCCCCCCCC(C)(C#C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients