Oct-1-en-1-ol
PubChem CID: 53438751
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| Compound Synonyms | oct-1-en-1-ol, acetate, DTXSID80701487, 32717-31-0 |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oct-1-en-1-ol, acetate |
| Prediction Hob | 1.0 |
| Molecular Formula | C10H19O3- |
| Prediction Swissadme | 1.0 |
| Inchi Key | CHJCXPJPJQGTQK-UHFFFAOYSA-M |
| Fcsp3 | 0.7 |
| Logs | -3.444 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.757 |
| Compound Name | Oct-1-en-1-ol, acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 187.133 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 187.133 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 187.26 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9705057999999998 |
| Inchi | InChI=1S/C8H16O.C2H4O2/c1-2-3-4-5-6-7-8-9, 1-2(3)4/h7-9H,2-6H2,1H3, 1H3,(H,3,4)/p-1 |
| Smiles | CCCCCCC=CO.CC(=O)[O-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients