Octanol acetate
PubChem CID: 11008408
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| Compound Synonyms | octanol acetate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C10H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YLYBTZIQSIBWLI-DETAZLGJSA-N |
| Fcsp3 | 0.9 |
| Logs | -3.168 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.944 |
| Compound Name | Octanol acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 173.15 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.15 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 173.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5345142000080005 |
| Inchi | InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3/i10+1 |
| Smiles | CCCCCCCCO[13C](=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients