cis-3-Hexen-1-ol-D2
PubChem CID: 10261058
Connections displayed (default: 10).
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| Compound Synonyms | cis-3-Hexen-1-ol-D2, 164668-81-9, (Z)-3,4-Dideuteriohex-3-en-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 48.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3,4-dideuteriohex-3-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C6H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFLHIIWVXFIJGU-KKLCAENNSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.353 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.77 |
| Compound Name | cis-3-Hexen-1-ol-D2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.101 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.1007738620471998 |
| Inchi | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-/i3D,4D |
| Smiles | [2H]/C(=C(\[2H])/CCO)/CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cedrus Deodara (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients