Hept-6-en-1-ol
PubChem CID: 543123
Connections displayed (default: 10).
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| Compound Synonyms | 6-Hepten-1-ol, hept-6-en-1-ol, 4117-10-6, UFULDTPDHIRNGS-UHFFFAOYSA-, 6-heptenol, 6-heptene-1-ol, MFCD00229167, (z)-6-hepten-1-ol, SCHEMBL129386, DTXSID40337504, AKOS009159213, HY-W127475, AS-47639, DB-343085, CS-0185704, H0949, EN300-93889, F14745, 621-528-3 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hept-6-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C7H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFULDTPDHIRNGS-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.462 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.652 |
| Compound Name | Hept-6-en-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 114.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4149655999999997 |
| Inchi | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h2,8H,1,3-7H2 |
| Smiles | C=CCCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients