1-Hexanol, aluminum salt (3:1)
PubChem CID: 159947
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| Compound Synonyms | 1-Hexanol, aluminum salt, Aluminum n-hexoxide, Aluminium tri(hexanolate), 23275-26-5, aluminum, hexan-1-olate, 1-Hexanol, aluminum salt (3:1), EINECS 245-546-2, EC 245-546-2, aluminum hexan-1-olate, Aluminum tri(hexanolate), aluminum trihexan-1-olate, aluminum 1-hexanolate, Hexyl alcohol, aluminum salt, DTXSID3027825, QFCVQKSWGFVMTB-UHFFFAOYSA-N, NS00084763, A802334, 245-546-2 |
|---|---|
| Topological Polar Surface Area | 69.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 27.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | aluminum, hexan-1-olate |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H39AlO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFCVQKSWGFVMTB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.333 |
| Rotatable Bond Count | 12.0 |
| Logd | 1.571 |
| Compound Name | 1-Hexanol, aluminum salt (3:1) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.271 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.271 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 330.5 |
| Covalent Unit Count | 4.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/3C6H13O.Al/c3*1-2-3-4-5-6-7, /h3*2-6H2,1H3, /q3*-1, +3 |
| Smiles | CCCCCC[O-].CCCCCC[O-].CCCCCC[O-].[Al+3] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients