3-Hepten-1-ol
PubChem CID: 5318018
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| Compound Synonyms | 3-Hepten-1-ol, (E)-Hept-3-en-1-ol, 10606-47-0, 2108-05-6, (3E)-3-Hepten-1-ol, 3-Hepten-1-ol, (3E)-, trans-3-Hepten-1-Ol, 3-Hepten-1-ol, (E)-, 81C6I6M8QZ, 3-heptenol, trans-3-Heptenol, UNII-VW3O51CET7, (E)-3-HEPTENOL, UNII-81C6I6M8QZ, VW3O51CET7, (3E)-hept-3-en-1-ol, SCHEMBL531136, (E)-3-HEPTEN-1-OL, DTXSID20883796, EINECS 218-292-5, AKOS006229260, NS00045580, Q27893778 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 57.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hept-3-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C7H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDZQUCJFTUULJX-SNAWJCMRSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.986 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.746 |
| Compound Name | 3-Hepten-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 | 1.0 |
| Esol | -1.4494656 |
| Inchi | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4+ |
| Smiles | CCC/C=C/CCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients