trans-Lachnophyllol
PubChem CID: 5318913
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| Compound Synonyms | trans-Lachnophyllol, 23180-62-3, (E)-dec-2-en-4,6-diyn-1-ol, 2-Decene-4,6-diyn-1-ol, (E)-, CHEBI:81417, DTXSID001310600, (2E)-2-Decene-4,6-diyn-1-ol, C17965, Q27155349 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-dec-2-en-4,6-diyn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVYOXYJPADNJRE-CMDGGOBGSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.457 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.259 |
| Compound Name | trans-Lachnophyllol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 148.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.0002709999999997 |
| Inchi | InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-3,10H2,1H3/b9-8+ |
| Smiles | CCCC#CC#C/C=C/CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aster Tataricus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients