(1E,3S)-1-Iodo-(E)-1-octen-3-ol
PubChem CID: 10988815
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| Compound Synonyms | (1E,3S)-1-Iodo-(E)-1-octen-3-ol, (E,3S)-1-iodooct-1-en-3-ol, (S,E)-1-Iodooct-1-en-3-ol, 39647-93-3, SCHEMBL11194573, SCHEMBL11700768, CS-0438367 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (E,3S)-1-iodooct-1-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C8H15IO |
| Prediction Swissadme | 1.0 |
| Inchi Key | KQDYMAYUKUZGDA-CZEYKFRCSA-N |
| Fcsp3 | 0.75 |
| Logs | -3.63 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.486 |
| Compound Name | (1E,3S)-1-Iodo-(E)-1-octen-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 254.017 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.017 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 254.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0195882 |
| Inchi | InChI=1S/C8H15IO/c1-2-3-4-5-8(10)6-7-9/h6-8,10H,2-5H2,1H3/b7-6+/t8-/m0/s1 |
| Smiles | CCCCC[C@@H](/C=C/I)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients