(3R)-1-hexen-3-ol
PubChem CID: 6992421
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| Compound Synonyms | (3R)-1-hexen-3-ol, (R)-1-hexen-3-ol, SCHEMBL6252133, BVOSSZSHBZQJOI-LURJTMIESA-N, (3R)-HEX-1-EN-3-OL |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-hex-1-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C6H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BVOSSZSHBZQJOI-LURJTMIESA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.109 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.8 |
| Compound Name | (3R)-1-hexen-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1890982 |
| Inchi | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3/t6-/m0/s1 |
| Smiles | CCC[C@H](C=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients