Bicyclo[7.7.0]hexadec-1(9)-ene
PubChem CID: 534882
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| Compound Synonyms | Bicyclo[7.7.0]hexadec-1(9)-ene, VDSRGLHRGHJFHU-NXVVXOECSA-N, 1,2,3,4,5,6,7,8,9,10,11,12,13,14-Tetradecahydrononalene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bicyclo[7.7.0]hexadec-1(9)-ene |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C16H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VDSRGLHRGHJFHU-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -5.897 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.427 |
| Compound Name | Bicyclo[7.7.0]hexadec-1(9)-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 220.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.106179999999999 |
| Inchi | InChI=1S/C16H28/c1-3-7-11-15-13-9-5-2-6-10-14-16(15)12-8-4-1/h1-14H2 |
| Smiles | C1CCCC2=C(CCC1)CCCCCCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients