2-Hepten-4-ol
PubChem CID: 5366235
Connections displayed (default: 10).
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| Compound Synonyms | 2-Hepten-4-ol, 4798-59-8, hept-2-en-4-ol, (E)-hept-2-en-4-ol, (2E)-2-Hepten-4-ol, MFCD00021932, (2E)-2-Hepten-4-ol #, SCHEMBL3418051, 2-Hepten-4-ol, (E)+(Z), AKOS006227992, AS-76310, 620-588-8 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hept-2-en-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C7H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DODCYMXUZOEOQF-HWKANZROSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.319 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.54 |
| Compound Name | 2-Hepten-4-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 | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.4209656 |
| Inchi | InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+ |
| Smiles | CCCC(/C=C/C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients