(2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
PubChem CID: 10846300
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| Topological Polar Surface Area | 18.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RNEORCMLRJNFGE-MAUPQMMJSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -4.083 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.995 |
| Compound Name | (2E,5R)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9765367999999994 |
| Inchi | InChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8+/t14-/m1/s1 |
| Smiles | CC#CC#C/C=C/1\C=C[C@]2(O1)CCCCO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Racemosum (Plant) Rel Props:Source_db:cmaup_ingredients